Glycoside
GD135936
Name:
3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)-14,15-dimethoxy-12-[(methylamino)methyl]-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:
C33H38O12N2Smiles:
CNCc1cc(OC)c(OC)c2c1C1COc3cc(OC4OC(CNC)(C(=O)O)C(O)C(O)C4O)cc(-c4cccc(O)c4)c3C1O2Aglycone:
CNCc1cc(OC)c(OC)c2c1C1COc3cc(O)cc(-c4cccc(O)c4)c3C1O2Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 654.67 | Num_heavy_atoms: | 47 |
| TPSA: | 197.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD52849
Formula: C25H25O6N
Smiles:
CNCc1cc(OC)c(OC)c2c1C1COc3cc(O)cc(-c4cccc(O)c4)c3C1O2| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.48 | Num_heavy_atoms: | 32 |
| TPSA: | 89.41 | NumAromaticRings: | 3 |
