Glycoside
GD005423
Name:
NoneFormula:
C25H40O9N6Smiles:
NC[C@@H]1O[C@H](O[C@H](CN2CCN(CC(=O)N3CCCC3)CC2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=C(CN1CCN(CC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)CC1)N1CCCC1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.63 | Num_heavy_atoms: | 40 |
| TPSA: | 196.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD04610
Formula: C20H31O6N5
Smiles:
O=C(CN1CCN(CC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)CC1)N1CCCC1| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.5 | Num_heavy_atoms: | 31 |
| TPSA: | 131.34 | NumAromaticRings: | 1 |
