Glycoside
GD118995
Name:
2-{[2,10-dihydroxy-1-(5-hydroxy-6-methylhept-6-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H54O9Smiles:
C=C(C)C(O)CCC(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3C(O)CC21CAglycone:
C=C(C)C(O)CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.79 | Num_heavy_atoms: | 42 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD47626
Formula: C27H44O4
Smiles:
C=C(C)C(O)CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
