Glycoside
GD137725
Name:
6-{[5,6-dihydroxy-2-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acidFormula:
C21H34O18Smiles:
CC1(C(=O)O)OCC2OC(OC3C(CO)OC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O1Aglycone:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -6.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.49 | Num_heavy_atoms: | 39 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD23779
Formula: C9H14O8
Smiles:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.2 | Num_heavy_atoms: | 17 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
