Glycoside
GD150248
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}-2-[(methylamino)methyl]oxane-2-carboxylic acidFormula:
C36H44O12N2Smiles:
CNCC1(C(=O)O)OC(Oc2cc3c(c(-c4cccc(O)c4)c2)C2Oc4c(ccc(OCNCCC(C)C)c4OC)C2CO3)C(O)C(O)C1OAglycone:
COc1c(OCNCCC(C)C)ccc2c1OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 696.75 | Num_heavy_atoms: | 50 |
| TPSA: | 197.66 | 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 |
