Glycoside
GD117466
Name:
(4-Hydroxybenzyl)Thiocarbamic Acid; 4'-O-β-L-Rhamnopyranoside, O-α-D-Glucopyranosyl EsterFormula:
C20H29O11NSSmiles:
CC1OC(Oc2ccc(CN=C(S)OC3OC(CO)C(O)C(O)C3O)cc2)C(O)C(O)C1OAglycone:
OC(S)=NCc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.52 | Num_heavy_atoms: | 33 |
| TPSA: | 190.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD46835
Formula: C8H9O2NS
Smiles:
OC(S)=NCc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.23 | Num_heavy_atoms: | 12 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
