Glycoside
GD151137
Name:
1-[1-(benzoyloxy)ethyl]-1,3a,3b-trihydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoateFormula:
C56H80O17Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(CCC6(O)C5CC(OC(=O)c5ccccc5)C5(C)C(O)(C(C)OC(=O)c7ccccc7)CCC65O)C4)CC3OC)CC2OC)OC(C)C1OAglycone:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 1025.24 | Num_heavy_atoms: | 73 |
| TPSA: | 216.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD48417
Formula: C35H44O8
Smiles:
CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 592.73 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
