Glycoside
GD119591
Name:
methyl 5-hydroxy-1-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylateFormula:
C25H27O11NSmiles:
COC(=O)C1Cc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)cc1Aglycone:
COC(=O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 517.49 | Num_heavy_atoms: | 37 |
| TPSA: | 186.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD47947
Formula: C19H17O6N
Smiles:
COC(=O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 355.35 | Num_heavy_atoms: | 26 |
| TPSA: | 107.3 | NumAromaticRings: | 2 |
