Glycoside
GD113170
Name:
NoneFormula:
C43H43O8N5Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[C@@H]3CCCCO3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1.OC1CCCCO1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 757.84 | Num_heavy_atoms: | 56 |
| TPSA: | 148.31 | NumAromaticRings: | 6 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD07921
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)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 |
AD12145
Formula: C5H10O2
Smiles:
OC1CCCCO1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
