Glycoside
GD157242
Name:
7-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-3a,11-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C41H62O18Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(OC5CC(O)C(OC6OCC(O)C(OC7OCC(O)(CO)C7O)C6O)C(C)O5)CCC4(C)C3CC(O)C2(C)C1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C2(C)C1C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 842.93 | Num_heavy_atoms: | 59 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD18567
Formula: C25H36O7
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CC(O)C2(C)C1C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 448.56 | Num_heavy_atoms: | 32 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
