Glycoside
GD126441
Name:
3,4,5-trihydroxy-6-{[8-(3-hydroxyphenyl)-13,14-dimethoxy-17-(methylamino)-3,11-dioxapentacyclo[10.7.1.0¹,¹â°.0â´,â¹.0¹â¶,²â°]icosa-4(9),5,7,12(20),13,15-hexaen-6-yl]oxy}-2-[(methylamino)methyl]oxane-2-carboxylic acidFormula:
C35H40O12N2Smiles:
CNCC1(C(=O)O)OC(Oc2cc3c(c(-c4cccc(O)c4)c2)C2Oc4c(OC)c(OC)cc5c4C2(CCC5NC)CO3)C(O)C(O)C1OAglycone:
CNC1CCC23COc4cc(O)cc(-c5cccc(O)c5)c4C2Oc2c(OC)c(OC)cc1c23Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 680.71 | Num_heavy_atoms: | 49 |
| TPSA: | 197.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD51163
Formula: C27H27O6N
Smiles:
CNC1CCC23COc4cc(O)cc(-c5cccc(O)c5)c4C2Oc2c(OC)c(OC)cc1c23| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.51 | Num_heavy_atoms: | 34 |
| TPSA: | 89.41 | NumAromaticRings: | 3 |
