Glycoside
...
GD022564

Name:
None

Formula:
C72H87O17N13

Smiles:
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)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(CC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1)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: 30 RingCount: 9
HBD: 22 FractionCSP3: 0.38
AlogP: -0.01 Num_rotatable_bonds: 35
MolWt: 1406.56 Num_heavy_atoms: 102
TPSA: 503.11 NumAromaticRings: 8

Unique Aglycone
AD15280
Formula: C66H77O12N13

Smiles:
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(N)=O
HBA: 25 RingCount: 8
HBD: 19 FractionCSP3: 0.32
AlogP: 2.52 Num_rotatable_bonds: 32
MolWt: 1244.42 Num_heavy_atoms: 91
TPSA: 423.96 NumAromaticRings: 8

Sugarmoiety
SD00003

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