Glycoside
...
GD032960

Name:
None

Formula:
C63H78O15N12

Smiles:
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O

Aglycone:
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(N)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 8
HBD: 20 FractionCSP3: 0.4
AlogP: -0.44 Num_rotatable_bonds: 31
MolWt: 1243.39 Num_heavy_atoms: 90
TPSA: 453.78 NumAromaticRings: 7

Unique Aglycone
AD21074
Formula: C57H68O10N12

Smiles:
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(N)=O
HBA: 22 RingCount: 7
HBD: 17 FractionCSP3: 0.33
AlogP: 2.09 Num_rotatable_bonds: 28
MolWt: 1081.24 Num_heavy_atoms: 79
TPSA: 374.63 NumAromaticRings: 7

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O