Glycoside
GD119993
Name:
NoneFormula:
C33H41O11N5Smiles:
CNC(=N)NC(CCO)c1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=OAglycone:
CNC(=N)NC(CCO)c1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 683.72 | Num_heavy_atoms: | 49 |
| TPSA: | 269.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD48155
Formula: C27H31O6N5
Smiles:
CNC(=N)NC(CCO)c1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.3 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 521.57 | Num_heavy_atoms: | 38 |
| TPSA: | 190.02 | NumAromaticRings: | 2 |
