Glycoside
GD148086
Name:
Sinocrassuloside IvFormula:
C48H74O20Smiles:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)CC32C)C1(C)CCCOAglycone:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)C(O)CC32C)C1(C)CCCO.COC(=O)CC(C)(O)CC(=O)OSugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 16 |
| MolWt: | 971.1 | Num_heavy_atoms: | 68 |
| TPSA: | 336.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD49350
Formula: C30H46O6
Smiles:
C=C(C(=O)O)C1CCC2(C)C(CC=C3C4CC(C)(C)CCC4(C(=O)O)C(O)CC32C)C1(C)CCCO| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 5.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
