Glycoside
GD034101
Name:
NoneFormula:
C24H21O5NCl2Smiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1[nH]c1cc(Cl)c(Cl)cc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(Cl)c(Cl)cc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.32 | Num_heavy_atoms: | 30 |
| TPSA: | 102.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD21712
Formula: C20H13ONCl2
Smiles:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(Cl)c(Cl)cc21| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 330.21 | Num_heavy_atoms: | 22 |
| TPSA: | 32.86 | NumAromaticRings: | 3 |
