Glycoside
GD037367
Name:
NoneFormula:
C29H42O13N4Smiles:
N[C@H]1C[C@@H](N)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](N)[C@@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CNC(=O)c2ccc3cc(O)ccc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)c1ccc2cc(O)ccc2c1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.62 |
| AlogP: | -4.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.67 | Num_heavy_atoms: | 46 |
| TPSA: | 305.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD23545
Formula: C12H11O2N
Smiles:
CNC(=O)c1ccc2cc(O)ccc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.22 | Num_heavy_atoms: | 15 |
| TPSA: | 49.33 | NumAromaticRings: | 2 |
