Glycoside
GD115515
Name:
5,8-dihydroxy-2,3-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-1,4-dihydronaphthalene-1,4-dioneFormula:
C18H20O11SSmiles:
COC1=C(OC)C(=O)c2c(O)c(SC3OC(CO)C(O)C(O)C3O)cc(O)c2C1=OAglycone:
COC1=C(OC)C(=O)c2c(O)c(S)cc(O)c2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.41 | Num_heavy_atoms: | 30 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD45709
Formula: C12H10O6S
Smiles:
COC1=C(OC)C(=O)c2c(O)c(S)cc(O)c2C1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.27 | Num_heavy_atoms: | 19 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
