Glycoside
GD115537
Name:
(7-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-ethenyl-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl)methyl acetateFormula:
C31H48O8Smiles:
C=CC1CCC2C3CCC4CC(OC5OC(C)C(O)C(O)C5OC(C)=O)CCC4(COC(C)=O)C3CCC12CAglycone:
C=CC1CCC2C3CCC4CC(O)CCC4(COC(C)=O)C3CCC12CSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.72 | Num_heavy_atoms: | 39 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD03699
Formula: C23H36O3
Smiles:
C=CC1CCC2C3CCC4CC(O)CCC4(COC(C)=O)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.54 | Num_heavy_atoms: | 26 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
