Glycoside
...
GD034294

Name:
None

Formula:
C272H439O86N63P14

Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3C(C)O[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3C(C)O[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3C(C)O[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](OCc4cn(-c5cccc(NC(N)=O)c5)nn4)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3C(C)O[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)O2)c(=O)[nH]c1=O

Aglycone:
CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2ccc(N)nc2=O)OC1C(C)O[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.Cc1cn(C2CC(O)C(CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)O2)c(=O)[nH]c1=O.NC(=O)Nc1cccc(-n2cc(CO)nn2)c1

Sugarmoiety:
OC1CC(O)C(O)O1

Other Identifiers

Properties
HBA: 149 RingCount: 31
HBD: 24 FractionCSP3: 0.71
AlogP: 26.96 Num_rotatable_bonds: 168
MolWt: 6401.5 Num_heavy_atoms: 435
TPSA: 1833.33 NumAromaticRings: 16

Unique Aglycone
AD02106
Formula: C124H204O41N29P7

Smiles:
Cc1cn(C2CC(O)C(CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)O2)c(=O)[nH]c1=O
HBA: 70 RingCount: 14
HBD: 13 FractionCSP3: 0.73
AlogP: 11.75 Num_rotatable_bonds: 76
MolWt: 2973.98 Num_heavy_atoms: 201
TPSA: 882.09 NumAromaticRings: 7
AD05587
Formula: C134H222O42N29P7

Smiles:
CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2ccc(N)nc2=O)OC1C(C)O[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C
HBA: 71 RingCount: 14
HBD: 9 FractionCSP3: 0.74
AlogP: 14.03 Num_rotatable_bonds: 83
MolWt: 3128.23 Num_heavy_atoms: 212
TPSA: 857.95 NumAromaticRings: 7
AD21813
Formula: C10H11O2N5

Smiles:
NC(=O)Nc1cccc(-n2cc(CO)nn2)c1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.1
AlogP: 0.25 Num_rotatable_bonds: 3
MolWt: 233.23 Num_heavy_atoms: 17
TPSA: 106.06 NumAromaticRings: 2

Sugarmoiety
SD00062

OC1CC(O)C(O)O1