Glycoside
GD117517
Name:
NoneFormula:
C44H44O13N4Smiles:
CNC1CC2C=CC34CC2CC1(C=O)C3C(c1cc(O)ccc1-c1cc(=O)c2c(O)c(O)c(OC3OC(C(=O)O)C(O)C(O)(CNC(=N)N)C3O)cc2o1)=Cc1ccccc14Aglycone:
CNC(=N)N.CNC1CC2C=CC34CC2CC1(C=O)C3C(c1cc(O)ccc1-c1cc(=O)c2c(O)c(O)c(O)cc2o1)=Cc1ccccc14Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.36 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 836.85 | Num_heavy_atoms: | 61 |
| TPSA: | 298.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD01954
Formula: C2H7N3
Smiles:
CNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.1 | Num_heavy_atoms: | 5 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
AD46863
Formula: C36H31O7N
Smiles:
CNC1CC2C=CC34CC2CC1(C=O)C3C(c1cc(O)ccc1-c1cc(=O)c2c(O)c(O)c(O)cc2o1)=Cc1ccccc14| HBA: | 8 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 589.64 | Num_heavy_atoms: | 44 |
| TPSA: | 140.23 | NumAromaticRings: | 4 |
