Glycoside
GD130907
Name:
2-({1-ethenyl-9a-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-3,5-dihydroxy-6-methyloxan-4-yl acetateFormula:
C28H42O7Smiles:
C=CC1CCC2C3CC=C4CC(OC5OC(C)C(O)C(OC(C)=O)C5O)CCC4(O)C3CCC12CAglycone:
C=CC1CCC2C3CC=C4CC(O)CCC4(O)C3CCC12CSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD53050
Formula: C20H30O2
Smiles:
C=CC1CCC2C3CC=C4CC(O)CCC4(O)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
