Glycoside
GD152255
Name:
2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethyl pyridine-3-carboxylateFormula:
C23H29O11NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)c1cccnc1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)c1cccnc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 495.48 | Num_heavy_atoms: | 35 |
| TPSA: | 174.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD60637
Formula: C17H19O6N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)c1cccnc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 333.34 | Num_heavy_atoms: | 24 |
| TPSA: | 94.95 | NumAromaticRings: | 1 |
