Glycoside
GD005456
Name:
3,4,5-trihydroxy-6-({17-methyl-17-azatetracyclo[7.5.3.0¹,¹â°.0²,â·]heptadeca-2,4,6-trien-4-yl}oxy)oxane-2-carboxylic acidFormula:
C23H31O7NSmiles:
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc13Aglycone:
CN1CCC23CCCCC2C1Cc1ccc(O)cc13Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 433.5 | Num_heavy_atoms: | 31 |
| TPSA: | 119.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD04636
Formula: C17H23ON
Smiles:
CN1CCC23CCCCC2C1Cc1ccc(O)cc13| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 257.38 | Num_heavy_atoms: | 19 |
| TPSA: | 23.47 | NumAromaticRings: | 1 |
