Glycoside
GD026564
Name:
NoneFormula:
C43H33O9N3Smiles:
COc1ccc(-n2nc3c4ccccc4n([C@@H]4O[C@H](COC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1Aglycone:
COC(=O)c1ccccc1.COc1ccc(-n2nc3c4ccccc4[nH]cc-3c2=O)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 735.75 | Num_heavy_atoms: | 55 |
| TPSA: | 137.18 | NumAromaticRings: | 5 |
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 |
AD17506
Formula: C17H13O2N3
Smiles:
COc1ccc(-n2nc3c4ccccc4[nH]cc-3c2=O)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.31 | Num_heavy_atoms: | 22 |
| TPSA: | 59.91 | NumAromaticRings: | 2 |
