Glycoside
GD122663
Name:
2-{[12-hydroxy-10-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-3a,12a-dimethyl-6-methylidene-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,12H,12aH-cyclopenta[11]annulen-7-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H48O9Smiles:
C=C1CCC2(C)C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1COC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2(C)C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.68 | Num_heavy_atoms: | 37 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD49450
Formula: C22H38O4
Smiles:
C=C1CCC2(C)C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.54 | Num_heavy_atoms: | 26 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
