Glycoside
GD104563
Name:
4,5-bis(acetyloxy)-6-[(3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]oxan-3-yl acetateFormula:
C22H22O10SSmiles:
COC1=C(S[C@@H]2OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2ccccc2C1=OAglycone:
COC1=C(S)C(=O)c2ccccc2C1=OSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.48 | Num_heavy_atoms: | 33 |
| TPSA: | 131.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD23655
Formula: C11H8O3S
Smiles:
COC1=C(S)C(=O)c2ccccc2C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.25 | Num_heavy_atoms: | 15 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
