Glycoside
GD125376
Name:
[(3,4,5-trihydroxy-6-{[4-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl]oxy}oxan-2-yl)methoxy]sulfonic acidFormula:
C19H30O11SSmiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OC1OC(COS(=O)(=O)O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.51 | Num_heavy_atoms: | 31 |
| TPSA: | 180.05 | 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 |
AD07665
Formula: C13H20O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
