Glycoside
GD109702
Name:
4,5-bis(acetyloxy)-6-[(1,4-dioxo-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]sulfanyl}-1,4-dihydronaphthalen-2-yl)sulfanyl]oxan-3-yl acetateFormula:
C32H34O16S2Smiles:
CC(=O)O[C@@H]1[C@H](SC2=C(S[C@@H]3OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(=O)c3ccccc3C2=O)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
O=C1C(S)=C(S)C(=O)c2ccccc21Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 738.74 | Num_heavy_atoms: | 50 |
| TPSA: | 210.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD44573
Formula: C10H6O2S2
Smiles:
O=C1C(S)=C(S)C(=O)c2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 222.29 | Num_heavy_atoms: | 14 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
