Glycoside
GD145095
Name:
3-(acetyloxy)-2-{[7,10-dihydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyloxan-4-yl acetateFormula:
C37H60O10Smiles:
CC(=O)OC1C(OC2CC3C4CC=C5CC(O)CCC5(C)C4C(O)CC3(C)C2C(C)C(O)CCC(C)C)OC(C)C(O)C1OC(C)=OAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21CSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00238
Formula: C27H46O4
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
