Glycoside
GD130893
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-(3,5-dihydroxybenzoyloxy)-1H-pyrrole-2-carboxylateFormula:
C18H19O11NSmiles:
O=C(Oc1ccc(C(=O)OC2OC(CO)C(O)C(O)C2O)[nH]1)c1cc(O)cc(O)c1Aglycone:
O=C(Oc1ccc(C(=O)O)[nH]1)c1cc(O)cc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.35 | Num_heavy_atoms: | 30 |
| TPSA: | 199.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD53043
Formula: C12H9O6N
Smiles:
O=C(Oc1ccc(C(=O)O)[nH]1)c1cc(O)cc(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 263.2 | Num_heavy_atoms: | 19 |
| TPSA: | 119.85 | NumAromaticRings: | 2 |
