Glycoside
GD126613
Name:
12,23-Epoxydammar-24-Ene-3,20-Diol; (3β,12β,20S,23R)-Form, 3,20-Di-O-β-D-GlucopyranosideFormula:
C42H70O13Smiles:
CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC23C)O1Aglycone:
CC(C)=CC1CC(C)(O)C2CCC3(C)C2C(CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 783.01 | Num_heavy_atoms: | 55 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD09003
Formula: C30H50O3
Smiles:
CC(C)=CC1CC(C)(O)C2CCC3(C)C2C(CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
