Glycoside
GD119220
Name:
1-{3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methylheptan-2-yl}-7,8-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-oneFormula:
C38H64O13Smiles:
CC(C)CCC(OC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CAglycone:
CC(C)CCC(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 728.92 | Num_heavy_atoms: | 51 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47726
Formula: C27H46O4
Smiles:
CC(C)CCC(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
