Glycoside
GD124034
Name:
5-hydroxy-2-(hydroxymethyl)-7-(2-hydroxypropyl)-1,4a-dimethyl-6-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-3,4,4a,9,10,10a-hexahydrophenanthren-9-oneFormula:
C26H36O10Smiles:
COC1OC(Oc2c(CC(C)O)cc3c(c2O)C2(C)CCC(CO)=C(C)C2CC3=O)C(O)C(O)C1OAglycone:
CC1=C(CO)CCC2(C)c3c(cc(CC(C)O)c(O)c3O)C(=O)CC12Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD50079
Formula: C20H26O5
Smiles:
CC1=C(CO)CCC2(C)c3c(cc(CC(C)O)c(O)c3O)C(=O)CC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
