Glycoside
GD029020
Name:
NoneFormula:
C41H39O12N3Smiles:
CO[C@@H]1O[C@H](COCc2cn(CCCOc3cccc(C(=O)O)c3)nn2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
COCc1cn(CCCOc2cccc(C(=O)O)c2)nn1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 17 |
| MolWt: | 765.77 | Num_heavy_atoms: | 56 |
| TPSA: | 183.83 | 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 |
AD18912
Formula: C14H17O4N3
Smiles:
COCc1cn(CCCOc2cccc(C(=O)O)c2)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 291.31 | Num_heavy_atoms: | 21 |
| TPSA: | 86.47 | NumAromaticRings: | 2 |
