Glycoside
GD146036
Name:
1,3a,3b-trihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoateFormula:
C35H52O10Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 632.79 | Num_heavy_atoms: | 45 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD47109
Formula: C28H40O7
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
