Glycoside
GD075696
Name:
NoneFormula:
C17H26O7N3Smiles:
COc1cc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2CC[NH2+]CC2)ccn1Aglycone:
COc1cc(NC2CC[NH2+]CC2)ccn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 384.41 | Num_heavy_atoms: | 27 |
| TPSA: | 157.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD35060
Formula: C11H18ON3
Smiles:
COc1cc(NC2CC[NH2+]CC2)ccn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.28 | Num_heavy_atoms: | 15 |
| TPSA: | 50.76 | NumAromaticRings: | 1 |
