Glycoside
GD149306
Name:
2-(3,4-dihydroxyoxolan-2-yl)-7-hydroxy-5-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5,6,7-tetrahydro-1H-indole-4,6-dioneFormula:
C27H29O13NSmiles:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(O)(C2OC(CO)C(O)C(O)C2O)c2[nH]c(C3OCC(O)C3O)cc21Aglycone:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(O)c2[nH]ccc21Sugarmoiety:
OC1COC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 575.52 | Num_heavy_atoms: | 41 |
| TPSA: | 250.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD59712
Formula: C17H13O5N
Smiles:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(O)c2[nH]ccc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.29 | Num_heavy_atoms: | 23 |
| TPSA: | 110.62 | NumAromaticRings: | 2 |
