Glycoside
GD125910
Name:
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}-3,5-dihydroxy-6-methyloxan-4-yl acetateFormula:
C35H58O9Smiles:
CC(=O)OC1C(O)C(C)OC(OC2CC3C4CC=C5CC(O)CCC5(C)C4C(O)CC3(C)C2C(C)C(O)CCC(C)C)C1OAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21CSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 145.91 | 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 |
