Glycoside
GD006266
Name:
NoneFormula:
C29H34O6N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCC(c4cc(OC)cc(OC)c4)c4ccccc4C)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1cc(OC)cc(C(CNc2ncnc3c2N=C[N]3)c2ccccc2C)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.63 | Num_heavy_atoms: | 41 |
| TPSA: | 152.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| 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 |
