Glycoside
GD139664
Name:
1-acetyl-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoateFormula:
C49H74O16Smiles:
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 919.12 | Num_heavy_atoms: | 65 |
| TPSA: | 207.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD53602
Formula: C28H38O6
Smiles:
CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.61 | Num_heavy_atoms: | 34 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
