Glycoside
GD022078
Name:
NoneFormula:
C30H34O6N6Smiles:
COc1cc(OC)cc(C(CNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@H](O)[C@H]2O)c2ccccc2C)c1Aglycone:
COc1cc(OC)cc(C(CNc2ncnc3c2N=C[N]3)c2ccccc2C)c1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 574.64 | Num_heavy_atoms: | 42 |
| TPSA: | 152.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD05198
Formula: C22H22O2N5
Smiles:
COc1cc(OC)cc(C(CNc2ncnc3c2N=C[N]3)c2ccccc2C)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.45 | Num_heavy_atoms: | 29 |
| TPSA: | 82.73 | NumAromaticRings: | 3 |
