Glycoside
GD117847
Name:
1-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-3b,5,7-triolFormula:
C35H58O9Smiles:
COC1C(O)C(CO)OC(OCC(C)C(C)C=CC(C)C2CC=C3C2(C)CCC2C3(O)CC(O)C3CC(O)CCC32C)C1OAglycone:
CC(C=CC(C)C1CC=C2C1(C)CCC1C2(O)CC(O)C2CC(O)CCC21C)C(C)COSugarmoiety:
COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD47047
Formula: C28H46O4
Smiles:
CC(C=CC(C)C1CC=C2C1(C)CCC1C2(O)CC(O)C2CC(O)CCC21C)C(C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
