Glycoside
GD117050
Name:
2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-(3,7-dihydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-oneFormula:
C39H66O13Smiles:
CC(CO)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)CC2C3CCC4CC(=O)CCC4(C)C3CCC21CAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4CC(=O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.94 | Num_heavy_atoms: | 52 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD46603
Formula: C27H46O4
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4CC(=O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
