Glycoside

GD147521
Name:
5-hydroxy-3-[2-(2-hydroxyphenyl)ethyl]-1-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C32H33O12NSmiles:
O=C(O)C1C(CCc2ccccc2O)c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)cc1Aglycone:
O=C(O)C1C(CCc2ccccc2O)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.31 |
AlogP: | 1.21 | Num_rotatable_bonds: | 9 |
MolWt: | 623.61 | Num_heavy_atoms: | 45 |
TPSA: | 217.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD59073
Formula: C26H23O7N
Smiles:
O=C(O)C1C(CCc2ccccc2O)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1HBA: | 8 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.15 |
AlogP: | 3.74 | Num_rotatable_bonds: | 6 |
MolWt: | 461.47 | Num_heavy_atoms: | 34 |
TPSA: | 138.53 | NumAromaticRings: | 3 |