Glycoside
GD122633
Name:
NoneFormula:
C34H39O13N4Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OCC21.NC([NH3+])COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 711.7 | Num_heavy_atoms: | 51 |
| TPSA: | 248.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD45159
Formula: C5H11O4N2
Smiles:
NC([NH3+])COC(=O)CC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 163.15 | Num_heavy_atoms: | 11 |
| TPSA: | 117.26 | NumAromaticRings: | 0 |
AD49436
Formula: C24H22O5N2
Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OCC21| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 72.75 | NumAromaticRings: | 2 |
