Glycoside
GD150634
Name:
3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)-14-{[(2-hydroxypropyl)amino]methoxy}-15-methoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}oxane-2-carboxylic acidFormula:
C32H35O13NSmiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3cccc(O)c3)OCC21Aglycone:
COc1c(OCNCC(C)O)ccc2c1OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 641.63 | Num_heavy_atoms: | 46 |
| TPSA: | 205.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD52859
Formula: C26H27O7N
Smiles:
COc1c(OCNCC(C)O)ccc2c1OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 465.5 | Num_heavy_atoms: | 34 |
| TPSA: | 109.64 | NumAromaticRings: | 3 |
