Glycoside
GD007625
Name:
NoneFormula:
C28H32O10N6Smiles:
CCOC1CC2(C[C@@H]3O[C@H](n4cnc5c(NC(=O)OCc6ccccc6)ncnc54)[C@H](O)[C@H]3O)OC1(C(=O)OC)C(=O)N2CAglycone:
CCOC1CC2(C)OC1(C(=O)OC)C(=O)N2C.O=C(Nc1ncnc2c1N=C[N]2)OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.6 | Num_heavy_atoms: | 44 |
| TPSA: | 196.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD03663
Formula: C11H17O5N
Smiles:
CCOC1CC2(C)OC1(C(=O)OC)C(=O)N2C| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 243.26 | Num_heavy_atoms: | 17 |
| TPSA: | 65.07 | NumAromaticRings: | 0 |
AD06187
Formula: C13H10O2N5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)OCc1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
