Glycoside
GD125283
Name:
3,4,5-trihydroxy-6-[(14-{[(2-hydroxypropyl)amino]methoxy}-15-methoxy-3-phenyl-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:
C32H35O12NSmiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21Aglycone:
COc1c(OCNCC(C)O)ccc2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 625.63 | Num_heavy_atoms: | 45 |
| TPSA: | 185.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD50666
Formula: C26H27O6N
Smiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.5 | Num_heavy_atoms: | 33 |
| TPSA: | 89.41 | NumAromaticRings: | 3 |
