Glycoside
GD156255
Name:
Cryptostigmin IvFormula:
C50H78O22Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(OC(C)=O)CC54O)C3)OC2C)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 13 |
| MolWt: | 1031.15 | Num_heavy_atoms: | 72 |
| TPSA: | 317.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD01727
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
