Glycoside
GD131529
Name:
3,4,5-trihydroxy-6-[(9-hydroxy-15-methoxy-14-{[(3-methylbutyl)amino]methoxy}-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl)oxy]oxane-2-carboxylic acidFormula:
C28H35O12NSmiles:
COc1c(OCNCCC(C)C)ccc2c1OC1c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC(O)C21Aglycone:
COc1c(OCNCCC(C)C)ccc2c1OC1c3ccc(O)cc3OC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 577.58 | Num_heavy_atoms: | 41 |
| TPSA: | 185.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD53284
Formula: C22H27O6N
Smiles:
COc1c(OCNCCC(C)C)ccc2c1OC1c3ccc(O)cc3OC(O)C21| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.46 | Num_heavy_atoms: | 29 |
| TPSA: | 89.41 | NumAromaticRings: | 2 |
