Glycoside
GD135186
Name:
3,4,5-trihydroxy-6-methyloxan-2-yl 3,4,5-trihydroxybenzoateFormula:
C13H16O9Smiles:
CC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 22 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
