Glycoside
GD131271
Name:
A-500359 DFormula:
C24H33O11N5Smiles:
COC1C(O)C(n2ccc(O)nc2=O)OC1C(OC1CC(O)C=C(C(O)=NC2CCCC(C)N=C2O)O1)C(=N)OAglycone:
CC1CCCC(N=C(O)C2=CC(O)CC(OCC(=N)O)O2)C(O)=N1.O=c1nc(O)cc[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 567.55 | Num_heavy_atoms: | 40 |
| TPSA: | 241.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD53189
Formula: C15H23O6N3
Smiles:
CC1CCCC(N=C(O)C2=CC(O)CC(OCC(=N)O)O2)C(O)=N1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 341.36 | Num_heavy_atoms: | 24 |
| TPSA: | 147.95 | NumAromaticRings: | 0 |
