Glycoside
GD118390
Name:
12Beta-Hydroxycimigenol 3-O-Alpha-L-ArabinopyranosideFormula:
C35H56O10Smiles:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4CCC5C(CCC(OC6OCC(O)C(O)C6O)C5(C)C)C45CC5C(O)C2(C)C13Aglycone:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4CCC5C(CCC(O)C5(C)C)C45CC5C(O)C2(C)C13Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD47330
Formula: C30H48O6
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4CCC5C(CCC(O)C5(C)C)C45CC5C(O)C2(C)C13| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
