Glycoside
GD136467
Name:
NoneFormula:
C33H56O11SSmiles:
CC(C)C(CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C)OC1OC(COS(=O)(=O)O)C(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 660.87 | Num_heavy_atoms: | 45 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD49385
Formula: C27H46O3
Smiles:
CC(C)C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
