Glycoside
GD116227
Name:
3,5a-dimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydronaphtho[1,2-b]furan-2-oneFormula:
C21H32O8Smiles:
C=C1CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)CCC3C(C)C(=O)OC3C12Aglycone:
C=C1CCC(O)C2(C)CCC3C(C)C(=O)OC3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD46117
Formula: C15H22O3
Smiles:
C=C1CCC(O)C2(C)CCC3C(C)C(=O)OC3C12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
