Glycoside
...
GD032500

Name:
None

Formula:
C44H63O10N

Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CNC(=O)c4ccccc4C(=O)O)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CNC(=O)c1ccccc1C(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 6 FractionCSP3: 0.75
AlogP: 5.63 Num_rotatable_bonds: 6
MolWt: 765.98 Num_heavy_atoms: 55
TPSA: 182.85 NumAromaticRings: 1

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD06389
Formula: C9H9O3N

Smiles:
CNC(=O)c1ccccc1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.11
AlogP: 0.74 Num_rotatable_bonds: 2
MolWt: 179.17 Num_heavy_atoms: 13
TPSA: 66.4 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O