Glycoside
...
GD036440

Name:
None

Formula:
C42H70O12

Smiles:
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1C(=O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 7 FractionCSP3: 0.93
AlogP: 3.38 Num_rotatable_bonds: 9
MolWt: 767.01 Num_heavy_atoms: 54
TPSA: 195.6 NumAromaticRings: 0

Unique Aglycone
AD02777
Formula: C30H50O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 6.71 Num_rotatable_bonds: 4
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00163

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O