Glycoside
GD002239
Name:
NoneFormula:
C22H35O9N5Smiles:
NC[C@@H]1O[C@H](O[C@H](CNCCCN2CCCC2=O)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=C1CCCN1CCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 513.55 | Num_heavy_atoms: | 36 |
| TPSA: | 201.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD02157
Formula: C17H26O6N4
Smiles:
O=C1CCCN1CCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 382.42 | Num_heavy_atoms: | 27 |
| TPSA: | 136.89 | NumAromaticRings: | 1 |
