Glycoside
...
GD020695

Name:
None

Formula:
C271H439O85N61P14

Smiles:
CC1=CN([C@@H]2C[C@H](O[PH](OCCC#N)(OC(C)[C@@H]3O[C@H](n4ccc(N)nc4=O)C[C@H]3O[PH](OCCC#N)(OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3O[PH](OCCC#N)(OC(C)[C@@H]3O[C@H](n4ccc(N)nc4=O)C[C@H]3O[PH](OCCC#N)(OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3O)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)[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]3COP(=O)(O)O[C@@H]3C[C@H](OCc4cn(-c5ccccc5)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)O2)[C@H](O)NC1=O

Aglycone:
CC1=CN(C2CC(O[PH](OCCC#N)(OC(C)C3OC(n4ccc(N)nc4=O)CC3O[PH](OCCC#N)(OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[PH](OCCC#N)(OC(C)C3OC(n4ccc(N)nc4=O)CC3O[PH](OCCC#N)(OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O)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)C(CO[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)O2)C(O)NC1=O.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.OCc1cn(-c2ccccc2)nn1

Sugarmoiety:
OC1CC(O)C(O)O1

Other Identifiers

Properties
HBA: 146 RingCount: 31
HBD: 22 FractionCSP3: 0.72
AlogP: 27.05 Num_rotatable_bonds: 167
MolWt: 6345.47 Num_heavy_atoms: 431
TPSA: 1775.92 NumAromaticRings: 15

Unique Aglycone
AD03175
Formula: C9H9ON3

Smiles:
OCc1cn(-c2ccccc2)nn1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.11
AlogP: 0.76 Num_rotatable_bonds: 2
MolWt: 175.19 Num_heavy_atoms: 13
TPSA: 50.94 NumAromaticRings: 2
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
AD14253
Formula: C124H206O41N29P7

Smiles:
CC1=CN(C2CC(O[PH](OCCC#N)(OC(C)C3OC(n4ccc(N)nc4=O)CC3O[PH](OCCC#N)(OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[PH](OCCC#N)(OC(C)C3OC(n4ccc(N)nc4=O)CC3O[PH](OCCC#N)(OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O)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)C(CO[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)O2)C(O)NC1=O
HBA: 70 RingCount: 14
HBD: 14 FractionCSP3: 0.73
AlogP: 11.33 Num_rotatable_bonds: 76
MolWt: 2975.99 Num_heavy_atoms: 201
TPSA: 879.8 NumAromaticRings: 6

Sugarmoiety
SD00062

OC1CC(O)C(O)O1