Glycoside
GD133790
Name:
3a-hydroxy-7-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C44H68O18Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(OC(C)=O)CC54O)C3)OC2C)OC(C)C1OC1(O)OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1(O)OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 885.01 | Num_heavy_atoms: | 62 |
| TPSA: | 258.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD01727
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
