Glycoside
GD123759
Name:
2-[1-(2-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H54O13Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.78 | Num_heavy_atoms: | 46 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46948
Formula: C21H34O3
Smiles:
CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
