Glycoside
GD129294
Name:
25-Chlorodeoxycimigenol-3-O-Beta-D-XylopyranosideFormula:
C36H55O8ClSmiles:
CC1CC2OC3(OC2C(C)(C)Cl)C1C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC1CC2OC3(OC2C(C)(C)Cl)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 639.27 | Num_heavy_atoms: | 44 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD52384
Formula: C31H47O4Cl
Smiles:
CC1CC2OC3(OC2C(C)(C)Cl)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 507.16 | Num_heavy_atoms: | 35 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
