Glycoside
GD153898
Name:
5-hydroxy-1-[3-(4-hydroxyphenyl)prop-2-enoyl]-3-(2-phenylethyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C32H33O12NSmiles:
O=C(O)C1C(CCc2ccccc2)c2cc(O)c(OC3(O)OC(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)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 623.61 | Num_heavy_atoms: | 45 |
| TPSA: | 217.68 | 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 |
