Glycoside
GD142987
Name:
NoneFormula:
C35H36O11N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)c(Cc3cccc(O)c3)c(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)c(Cc3cccc(O)c3)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 660.68 | Num_heavy_atoms: | 48 |
| TPSA: | 221.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD57526
Formula: C29H26O6N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CCC3=CNC(N)C=C3)c(Cc3cccc(O)c3)c(O)c1C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.54 | Num_heavy_atoms: | 37 |
| TPSA: | 142.11 | NumAromaticRings: | 3 |
