Glycoside
...
GD005889

Name:
None

Formula:
C45H63O17N7

Smiles:
CC(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc2ccc(O)cc2)C(C)C)C(C)C)O[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 3
HBD: 13 FractionCSP3: 0.53
AlogP: -2.89 Num_rotatable_bonds: 23
MolWt: 974.03 Num_heavy_atoms: 69
TPSA: 380.67 NumAromaticRings: 2

Unique Aglycone
AD04303
Formula: C38H53O11N7

Smiles:
CC(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)O
HBA: 18 RingCount: 2
HBD: 11 FractionCSP3: 0.47
AlogP: -0.68 Num_rotatable_bonds: 21
MolWt: 783.88 Num_heavy_atoms: 56
TPSA: 295.45 NumAromaticRings: 2

Sugarmoiety
SD00776

CC(=O)OC1C(O)OC(O)C(O)C1O