Glycoside
GD131039
Name:
2-{[2-({3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C18H30O14Smiles:
CC1OC(OC2C(O)C(CO)OC(OC3C4COC(O4)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
OC1C2COC(O2)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -5.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.42 | Num_heavy_atoms: | 32 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD53101
Formula: C6H10O5
Smiles:
OC1C2COC(O2)C(O)C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
