Glycoside
GD140260
Name:
methyl 3-{[1-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-9H-pyrido[3,4-b]indol-3-yl]formamido}prop-2-enoateFormula:
C24H27O9N3Smiles:
COC(=O)C=CNC(=O)c1cc2c([nH]c3ccccc32)c(C(C)OC2OC(CO)C(O)C(O)C2O)n1Aglycone:
COC(=O)C=CNC(=O)c1cc2c([nH]c3ccccc32)c(C(C)O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 501.49 | Num_heavy_atoms: | 36 |
| TPSA: | 183.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD56559
Formula: C18H17O4N3
Smiles:
COC(=O)C=CNC(=O)c1cc2c([nH]c3ccccc32)c(C(C)O)n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.35 | Num_heavy_atoms: | 25 |
| TPSA: | 104.31 | NumAromaticRings: | 3 |
