Glycoside
GD118676
Name:
5-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,3-dihydroxycyclohexyl)oxy]-6-methyloxane-2,3,4-triolFormula:
C24H42O18Smiles:
CC1OC(O)C(O)C(O)C1OC1CCC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
OC1CCC(O)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -7.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.58 | Num_heavy_atoms: | 42 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD47477
Formula: C6H12O4
Smiles:
OC1CCC(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.16 | Num_heavy_atoms: | 10 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
