Glycoside
GD122911
Name:
5-hydroxy-1-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C24H25O12NSmiles:
O=C(O)C1Cc2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.46 | Num_heavy_atoms: | 37 |
| TPSA: | 217.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD03435
Formula: C18H15O6N
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.32 | Num_heavy_atoms: | 25 |
| TPSA: | 118.3 | NumAromaticRings: | 2 |
