Glycoside
GD012348
Name:
NoneFormula:
C48H42O6N2Smiles:
Cc1cn([C@@H]2O[C@H](CO)[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.OC(c1ccccc1)(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 7.49 | Num_rotatable_bonds: | 12 |
| MolWt: | 742.87 | Num_heavy_atoms: | 56 |
| TPSA: | 102.78 | NumAromaticRings: | 7 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD02784
Formula: C19H16O
Smiles:
OC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.34 | Num_heavy_atoms: | 20 |
| TPSA: | 20.23 | NumAromaticRings: | 3 |
