Glycoside
GD152782
Name:
1-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8-hydroxy-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethan-1-oneFormula:
C33H52O13Smiles:
CC(=O)C1=CCC2C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)CC4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 656.77 | Num_heavy_atoms: | 46 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD60809
Formula: C21H32O3
Smiles:
CC(=O)C1=CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
