Glycoside
GD148848
Name:
3-[2-amino-1-(6-{[3-(6-aminopyridin-3-yl)-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)-2-azaniumylethoxy]-3-oxopropanoateFormula:
C32H36O13N4Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3-c3ccc(=N)[nH]c3)OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(=N)[nH]c3)OCC21.NC(N)COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 684.66 | Num_heavy_atoms: | 49 |
| TPSA: | 271.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD45165
Formula: C5H10O4N2
Smiles:
NC(N)COC(=O)CC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 115.64 | NumAromaticRings: | 0 |
AD57237
Formula: C22H20O5N2
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(=N)[nH]c3)OCC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.41 | Num_heavy_atoms: | 29 |
| TPSA: | 96.79 | NumAromaticRings: | 3 |
