Glycoside
GD141126
Name:
6-{[1-({3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl}methyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C34H46O10N2Smiles:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c(OC)cc21Aglycone:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 642.75 | Num_heavy_atoms: | 46 |
| TPSA: | 159.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD56877
Formula: C28H38O4N2
Smiles:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.62 | Num_heavy_atoms: | 34 |
| TPSA: | 63.19 | NumAromaticRings: | 2 |
