Glycoside
GD128989
Name:
4-[2-(2-carboxy-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-1-yl)ethenyl]pyridine-2,6-dicarboxylic acidFormula:
C24H24O13N2Smiles:
O=C(O)c1cc(C=CN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)cc(C(=O)O)n1Aglycone:
O=C(O)c1cc(C=CN2c3cc(O)c(O)cc3CC2C(=O)O)cc(C(=O)O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.46 | Num_heavy_atoms: | 39 |
| TPSA: | 247.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD52250
Formula: C18H14O8N2
Smiles:
O=C(O)c1cc(C=CN2c3cc(O)c(O)cc3CC2C(=O)O)cc(C(=O)O)n1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.32 | Num_heavy_atoms: | 28 |
| TPSA: | 168.49 | NumAromaticRings: | 2 |
