Glycoside
GD154697
Name:
ColubrinosideFormula:
C50H78O19Smiles:
CC(=O)OC1C(CO)OC(OC2C(O)COC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C)(O)CC(C=C(C)C)OC67CC45CO7)C3(C)C)C2OC(C)=O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OC(CO)C(OC(C)=O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 983.16 | Num_heavy_atoms: | 69 |
| TPSA: | 268.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD04367
Formula: C30H48O4
Smiles:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
