Glycoside
...
GD034338

Name:
None

Formula:
C38H63O16N11

Smiles:
CO[C@@H]1[C@H](O[C@H]([C@H](NCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)C(=O)O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CN)[C@H]1O

Aglycone:
CC(C)CC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
COC1C(OOC2OC(O)C(O)C2O)OC(CN)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 4
HBD: 16 FractionCSP3: 0.74
AlogP: -5.66 Num_rotatable_bonds: 23
MolWt: 929.98 Num_heavy_atoms: 65
TPSA: 412.36 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD01352
Formula: C24H44O8N8

Smiles:
CC(C)CC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C1CCNC(=N)N1)C(=O)NCCCNC(CO)C(=O)O
HBA: 16 RingCount: 1
HBD: 11 FractionCSP3: 0.75
AlogP: -2.28 Num_rotatable_bonds: 17
MolWt: 572.66 Num_heavy_atoms: 40
TPSA: 254.1 NumAromaticRings: 0

Sugarmoiety
SD00992

COC1C(OOC2OC(O)C(O)C2O)OC(CN)C1O