Glycoside
GD136290
Name:
1-acetyl-3a,3b-dihydroxy-7-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoateFormula:
C42H62O12Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(CCC5(O)C4CC(OC(=O)c4ccccc4)C4(C)C(C(C)=O)CCC54O)C3)CC2OC)OC(C)C1OAglycone:
CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 758.95 | Num_heavy_atoms: | 54 |
| TPSA: | 159.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD53602
Formula: C28H38O6
Smiles:
CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.61 | Num_heavy_atoms: | 34 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
