Glycoside
GD142505
Name:
7-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3a,5a-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C41H62O19Smiles:
CC(=O)OC1CC2(O)C3CCC4(O)CC(OC5CC(O)C(OC6OCC(O)C(OC7OCC(O)(CO)C7O)C6O)C(CO)O5)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)CC(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 858.93 | Num_heavy_atoms: | 60 |
| TPSA: | 290.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD51542
Formula: C25H36O7
Smiles:
CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 448.56 | Num_heavy_atoms: | 32 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
