Glycoside
GD112093
Name:
NoneFormula:
C34H31O9N2Smiles:
CCOC(=O)c1c[n+]([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)ccc1NAglycone:
CCOC(=O)c1c[nH+]ccc1N.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 611.63 | Num_heavy_atoms: | 45 |
| TPSA: | 144.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44751
Formula: C8H11O2N2
Smiles:
CCOC(=O)c1c[nH+]ccc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.19 | Num_heavy_atoms: | 12 |
| TPSA: | 66.46 | NumAromaticRings: | 1 |
