Glycoside
GD036276
Name:
NoneFormula:
C44H56O11N4Smiles:
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](COCc4cccc(-c5ccccc5)c4)[C@H](OCc4cccc(-c5ccccc5)c4)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COCc1cccc(-c2ccccc2)c1.NC1CC(N)C(O)C(O)C1O.OCc1cccc(-c2ccccc2)c1Sugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.45 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 14 |
| MolWt: | 816.95 | Num_heavy_atoms: | 59 |
| 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 |
AD22894
Formula: C14H14O
Smiles:
COCc1cccc(-c2ccccc2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.27 | Num_heavy_atoms: | 15 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
AD22895
Formula: C13H12O
Smiles:
OCc1cccc(-c2ccccc2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.24 | Num_heavy_atoms: | 14 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
