Glycoside
GD156071
Name:
3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)-15-methoxy-14-{[(3-methylbutyl)amino]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:
C34H39O12NSmiles:
COc1c(OCNCCC(C)C)ccc2c1OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3cccc(O)c3)OCC21Aglycone:
COc1c(OCNCCC(C)C)ccc2c1OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 653.68 | Num_heavy_atoms: | 47 |
| TPSA: | 185.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD60032
Formula: C28H31O6N
Smiles:
COc1c(OCNCCC(C)C)ccc2c1OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.56 | Num_heavy_atoms: | 35 |
| TPSA: | 89.41 | NumAromaticRings: | 3 |
