Glycoside
GD024553
Name:
NoneFormula:
C40H52O11N4Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](COCc4ccc5ccccc5c4)[C@H](OCc4ccc5ccccc5c4)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COCc1ccc2ccccc2c1.NC1CC(N)C(O)C(O)C1O.OCc1ccc2ccccc2c1Sugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.5 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 764.87 | Num_heavy_atoms: | 55 |
| TPSA: | 260.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
AD01842
Formula: C12H12O
Smiles:
COCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.23 | Num_heavy_atoms: | 13 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
