Glycoside
GD153592
Name:
3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-({[2,3,4-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoic acidFormula:
C18H24O15Smiles:
O=C(O)c1cc(O)c(O)c(OC2OC(COC3(O)OCC(O)(CO)C3O)C(O)C(O)C2O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1(O)COC(O)(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -4.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.38 | Num_heavy_atoms: | 33 |
| TPSA: | 256.29 | 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 |
