Glycoside
GD109883
Name:
NoneFormula:
C32H30O8N6Smiles:
CO[C@H]1O[C@H](Cn2nnc3c2NC=N[C@@H]3N)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
Cn1nnc2c1NC=NC2N.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.63 | Num_heavy_atoms: | 46 |
| TPSA: | 178.48 | 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 |
AD44586
Formula: C5H8N6
Smiles:
Cn1nnc2c1NC=NC2N| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.16 | Num_heavy_atoms: | 11 |
| TPSA: | 81.12 | NumAromaticRings: | 1 |
