Glycoside
GD113119
Name:
NoneFormula:
C40H39O8N5Smiles:
COc1ccc([C@@](OC[C@H]2O[C@@H](n3cnc4c(NC(=O)COc5ccccc5)ncnc43)[C@H](OC)[C@@H]2O)(c2ccccc2)c2cccc(OC)c2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2cccc(OC)c2)cc1.O=C(COc1ccccc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 14 |
| MolWt: | 717.78 | Num_heavy_atoms: | 53 |
| TPSA: | 148.31 | NumAromaticRings: | 6 |
Unique Aglycone
AD37148
Formula: C13H10O2N5
Smiles:
O=C(COc1ccccc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
AD44749
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2cccc(OC)c2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
