Glycoside
...
GD008928

Name:
None

Formula:
C41H66O14

Smiles:
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(CO)[C@H](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@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(CO)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12

Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 9 FractionCSP3: 0.93
AlogP: 1.32 Num_rotatable_bonds: 8
MolWt: 782.97 Num_heavy_atoms: 55
TPSA: 236.06 NumAromaticRings: 0

Unique Aglycone
AD05363
Formula: C30H48O5

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(CO)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.03 Num_rotatable_bonds: 3
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00090

OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O