Glycoside
GD130215
Name:
6-(2-chloroethyl)-2,5,7-trimethyl-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1H-inden-1-oneFormula:
C22H29O7ClSmiles:
Cc1cc2c(c(C)c1CCCl)C(=O)C(C)(COC1OC(CO)C(O)C(O)C1O)C2Aglycone:
Cc1cc2c(c(C)c1CCCl)C(=O)C(C)(CO)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.91 | Num_heavy_atoms: | 29 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD52767
Formula: C16H19O2Cl
Smiles:
Cc1cc2c(c(C)c1CCCl)C(=O)C(C)(CO)C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.77 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
