Glycoside
GD120367
Name:
6-{[4,15-dimethoxy-5-(sulfooxy)-10-azatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadeca-1(16),2,4,6,13(17),14-hexaen-16-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C24H27O13NSSmiles:
COc1cc2c(cc1OS(=O)(=O)O)CC1NCCc3cc(OC)c(OC4OC(C(=O)O)C(O)C(O)C4O)c-2c31Aglycone:
COc1cc2c(cc1OS(=O)(=O)O)CC1NCCc3cc(OC)c(O)c-2c31Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 569.54 | Num_heavy_atoms: | 39 |
| TPSA: | 210.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD48348
Formula: C18H19O7NS
Smiles:
COc1cc2c(cc1OS(=O)(=O)O)CC1NCCc3cc(OC)c(O)c-2c31| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.42 | Num_heavy_atoms: | 27 |
| TPSA: | 114.32 | NumAromaticRings: | 2 |
