Glycoside
GD151232
Name:
methyl 4-(9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)pentanoateFormula:
C31H50O8Smiles:
COC(=O)CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.73 | Num_heavy_atoms: | 39 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54646
Formula: C25H40O3
Smiles:
COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.59 | Num_heavy_atoms: | 28 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
