Glycoside
GD007513
Name:
NoneFormula:
C34H29O9N3Smiles:
NC(=O)NN=Cc1ccc(O[C@@H]2OC[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1Aglycone:
NC(=O)NN=Cc1ccc(O)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 623.62 | Num_heavy_atoms: | 46 |
| TPSA: | 164.84 | 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 |
AD00580
Formula: C8H9O2N3
Smiles:
NC(=O)NN=Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.18 | Num_heavy_atoms: | 13 |
| TPSA: | 87.71 | NumAromaticRings: | 1 |
