Glycoside
GD118463
Name:
2-{[1-({3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl}methyl)-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]oxy}-2-methyloxane-3,4,5-triolFormula:
C34H48O9N2Smiles:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(O)cc2CCN1OC1(C)OCC(O)C(O)C1OAglycone:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(O)cc2CCN1OSugarmoiety:
CC1(O)OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.76 | Num_heavy_atoms: | 45 |
| TPSA: | 133.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD47373
Formula: C28H38O5N2
Smiles:
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(O)cc2CCN1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.62 | Num_heavy_atoms: | 35 |
| TPSA: | 74.63 | NumAromaticRings: | 2 |
