Glycoside
GD079567
Name:
NoneFormula:
C20H29O8N2Smiles:
COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)c1Aglycone:
COC(=O)c1cccc(C[NH+]2CCC(N)CC2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.46 | Num_heavy_atoms: | 30 |
| TPSA: | 157.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD36368
Formula: C14H21O2N2
Smiles:
COC(=O)c1cccc(C[NH+]2CCC(N)CC2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.33 | Num_heavy_atoms: | 18 |
| TPSA: | 56.76 | NumAromaticRings: | 1 |
