Glycoside
GD151783
Name:
7-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-ethenyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9a-yl acetateFormula:
C30H44O8Smiles:
C=CC1CCC2C3CC=C4CC(OC5OC(C)C(O)C(OC(C)=O)C5O)CCC4(OC(C)=O)C3CCC12CAglycone:
C=CC1CCC2C3CC=C4CC(O)CCC4(OC(C)=O)C3CCC12CSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 532.67 | Num_heavy_atoms: | 38 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD60497
Formula: C22H32O3
Smiles:
C=CC1CCC2C3CC=C4CC(O)CCC4(OC(C)=O)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.5 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
