Glycoside
...
GD027741

Name:
None

Formula:
C36H58O12

Smiles:
CC1(C)CC[C@@]2(C(=O)O)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 9 FractionCSP3: 0.92
AlogP: 0.94 Num_rotatable_bonds: 5
MolWt: 682.85 Num_heavy_atoms: 48
TPSA: 217.6 NumAromaticRings: 0

Unique Aglycone
AD03100
Formula: C30H48O7

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 3.12 Num_rotatable_bonds: 2
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD00003

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