Glycoside
GD126119
Name:
12Beta-Hydroxycimigenol 3-O-Alpha-L-ArabinopyranosideFormula:
C35H56O11Smiles:
CC(C)(O)C1OC23OC1CC(CO)C2C1(C)C(O)CC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC(C)(O)C1OC23OC1CC(CO)C2C1(C)C(O)CC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 652.82 | Num_heavy_atoms: | 46 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD51012
Formula: C30H48O7
Smiles:
CC(C)(O)C1OC23OC1CC(CO)C2C1(C)C(O)CC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 520.71 | Num_heavy_atoms: | 37 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
