Glycoside
GD118626
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[2,10,13-trihydroxy-1,11a,13a-trimethyl-2-(3-methyl-4-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}butyl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C48H82O19Smiles:
CC(CCC1(O)CC2CCC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CC(O)C3(C)C2C1C)COC1CC(CO)C(O)C(O)C1OAglycone:
CC(CCC1(O)CC2CCC3C4CCC5CC(O)C(O)CC5(C)C4CC(O)C3(C)C2C1C)COC1CC(CO)C(O)C(O)C1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 963.17 | Num_heavy_atoms: | 67 |
| TPSA: | 329.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD47449
Formula: C36H62O9
Smiles:
CC(CCC1(O)CC2CCC3C4CCC5CC(O)C(O)CC5(C)C4CC(O)C3(C)C2C1C)COC1CC(CO)C(O)C(O)C1O| HBA: | 9 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.88 | Num_heavy_atoms: | 45 |
| TPSA: | 171.07 | NumAromaticRings: | 0 |
