Glycoside
GD148457
Name:
Spinoside AFormula:
C39H56O12Smiles:
CC(=O)OC1COC(OC2CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)CCC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)C(OC(C)=O)C1OAglycone:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)CCC12CSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 716.87 | Num_heavy_atoms: | 51 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD12185
Formula: C30H44O6
Smiles:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
