Glycoside
GD152027
Name:
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl pyridine-3-carboxylateFormula:
C24H29O12NSmiles:
O=C(OCC1(O)COC(OC2C(Oc3ccc(CO)cc3)OC(CO)C(O)C2O)C1O)c1cccnc1Aglycone:
COC(=O)c1cccnc1.OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 523.49 | Num_heavy_atoms: | 37 |
| TPSA: | 197.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD02945
Formula: C7H8O2
Smiles:
OCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD05813
Formula: C7H7O2N
Smiles:
COC(=O)c1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 39.19 | NumAromaticRings: | 1 |
