Glycoside
GD143936
Name:
Cheiranthoside XFormula:
C35H52O15Smiles:
CC1OC(OC2CCC3(C(=O)O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.79 | Num_heavy_atoms: | 50 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD19489
Formula: C23H32O7
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
