Glycoside
GD131630
Name:
({[3-hydroxy-3-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino}oxy)sulfonic acidFormula:
C15H21O11NS2Smiles:
O=S(=O)(O)ON=C(CC(O)c1ccc(O)cc1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)CC(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.46 | Num_heavy_atoms: | 29 |
| TPSA: | 206.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD53315
Formula: C9H11O6NS2
Smiles:
O=S(=O)(O)ON=C(S)CC(O)c1ccc(O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.32 | Num_heavy_atoms: | 18 |
| TPSA: | 116.42 | NumAromaticRings: | 1 |
