Glycoside
GD013605
Name:
NoneFormula:
C27H31O11N5Smiles:
COc1ccc2c(c1)c(C=NO)cn2Cc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1Aglycone:
COC(C)=O.COc1ccc2c(c1)c(C=NO)cn2CC1=C[N]N=N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 601.57 | Num_heavy_atoms: | 43 |
| TPSA: | 191.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10123
Formula: C13H12O2N5
Smiles:
COc1ccc2c(c1)c(C=NO)cn2CC1=C[N]N=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.27 | Num_heavy_atoms: | 20 |
| TPSA: | 85.57 | NumAromaticRings: | 2 |
