Glycoside
GD148041
Name:
5-hydroxy-1-[3-(4-hydroxyphenyl)prop-2-enoyl]-3-(2-phenylethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C32H33O11NSmiles:
O=C(O)C1C(CCc2ccccc2)c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C1C(CCc2ccccc2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 607.61 | Num_heavy_atoms: | 44 |
| TPSA: | 197.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD59258
Formula: C26H23O6N
Smiles:
O=C(O)C1C(CCc2ccccc2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.47 | Num_heavy_atoms: | 33 |
| TPSA: | 118.3 | NumAromaticRings: | 3 |
