Glycoside
GD147846
Name:
1-[9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-7-hydroxy-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-oneFormula:
C32H48O11Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)CC(OC5OCC(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 608.72 | Num_heavy_atoms: | 43 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46837
Formula: C21H30O3
Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.47 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
