Glycoside
...
GD005017

Name:
None

Formula:
C34H41O14N3

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3OC1CC(NC(=O)[C@H](CC(C)C)NC(=O)CN)C(O)C(O)O1

Aglycone:
CC(C)CC(NC(=O)CN)C(N)=O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O

Sugarmoiety:
OC1CC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 10 FractionCSP3: 0.5
AlogP: -1.42 Num_rotatable_bonds: 11
MolWt: 715.71 Num_heavy_atoms: 51
TPSA: 284.5 NumAromaticRings: 2

Unique Aglycone
AD01552
Formula: C21H18O9

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.29
AlogP: 0.15 Num_rotatable_bonds: 3
MolWt: 414.37 Num_heavy_atoms: 30
TPSA: 161.59 NumAromaticRings: 2
AD04302
Formula: C8H17O2N3

Smiles:
CC(C)CC(NC(=O)CN)C(N)=O
HBA: 5 RingCount: 0
HBD: 5 FractionCSP3: 0.75
AlogP: -1.04 Num_rotatable_bonds: 5
MolWt: 187.24 Num_heavy_atoms: 13
TPSA: 98.21 NumAromaticRings: 0

Sugarmoiety
SD00402

OC1CC(O)C(O)C(O)O1