Glycoside
GD079232
Name:
NoneFormula:
C18H28O7N4Smiles:
Cc1ccn(CCC(=O)NC[C@@H]2O[C@H](C(=O)N3CCOCC3)[C@H](O)[C@H](O)[C@H]2O)n1Aglycone:
CNC(=O)CCn1ccc(C)n1.O=CN1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.44 | Num_heavy_atoms: | 29 |
| TPSA: | 146.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD05370
Formula: C5H9O2N
Smiles:
O=CN1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
AD36290
Formula: C8H13ON3
Smiles:
CNC(=O)CCn1ccc(C)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 46.92 | NumAromaticRings: | 1 |
