Glycoside
GD015008
Name:
DERMATAN SULFATEFormula:
C16H27O15NSSmiles:
CO[C@@H]1[C@H](C(=O)O)O[C@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](CO)O[C@@H](OC)[C@H]2NC(C)=O)[C@H](O)[C@H]1OAglycone:
O=S(=O)(O)OSugarmoiety:
COC1OC(CO)C(O)C(OC2OC(C(=O)O)C(OC)C(O)C2O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -4.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.45 | Num_heavy_atoms: | 33 |
| TPSA: | 236.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
