Glycoside
GD146291
Name:
NoneFormula:
C31H36O11N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CC(CCCO)C3=CNC(N)C=C3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CC(CCCO)C3=CNC(N)C=C3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 612.63 | Num_heavy_atoms: | 44 |
| TPSA: | 221.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD58674
Formula: C25H26O6N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CC(CCCO)C3=CNC(N)C=C3)cc(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.49 | Num_heavy_atoms: | 33 |
| TPSA: | 142.11 | NumAromaticRings: | 2 |
