Glycoside
GD121564
Name:
butyl 5-{2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethenyl}pyridine-3-carboxylateFormula:
C27H35O11NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C=Cc1cncc(C(=O)OCCCC)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1cncc(C(=O)OCCCC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 549.57 | Num_heavy_atoms: | 39 |
| TPSA: | 174.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD48942
Formula: C21H25O6N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1cncc(C(=O)OCCCC)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 387.43 | Num_heavy_atoms: | 28 |
| TPSA: | 94.95 | NumAromaticRings: | 1 |
