Glycoside
GD115258
Name:
2-{[12-hydroxy-10-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-6,12a-dimethyl-1H,2H,3H,3aH,4H,7H,8H,9H,12H,12aH-cyclopenta[11]annulen-7-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H46O9Smiles:
CC1=CCC2C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1COC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CCC2C(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: | 0.85 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.66 | Num_heavy_atoms: | 36 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD45556
Formula: C21H36O4
Smiles:
CC1=CCC2C(C(C)(C)O)CCC2(C)C(O)C=C(CO)CCC1CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.52 | Num_heavy_atoms: | 25 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
