Glycoside
GD131343
Name:
methyl 5-hydroxy-1-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylateFormula:
C26H29O12NSmiles:
COC(=O)C1Cc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(OC)c1Aglycone:
COC(=O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 547.51 | Num_heavy_atoms: | 39 |
| TPSA: | 195.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD53215
Formula: C20H19O7N
Smiles:
COC(=O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.37 | Num_heavy_atoms: | 28 |
| TPSA: | 116.53 | NumAromaticRings: | 2 |
