Glycoside
GD128573
Name:
2-[2-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-oneFormula:
C28H29O10NSmiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 539.54 | Num_heavy_atoms: | 39 |
| TPSA: | 166.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD46384
Formula: C22H19O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C)cc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 377.4 | Num_heavy_atoms: | 28 |
| TPSA: | 87.07 | NumAromaticRings: | 3 |
