Glycoside
GD107808
Name:
NoneFormula:
C32H27O10N5Smiles:
CO[C@H]1O[C@H](Cn2nnc3c(=O)[nH][nH]c(=O)c32)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
Cn1nnc2c(=O)[nH][nH]c(=O)c21.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: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 641.59 | Num_heavy_atoms: | 47 |
| TPSA: | 193.79 | 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 |
AD44348
Formula: C5H5O2N5
Smiles:
Cn1nnc2c(=O)[nH][nH]c(=O)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.13 | Num_heavy_atoms: | 12 |
| TPSA: | 96.43 | NumAromaticRings: | 2 |
