Glycoside
GD033994
Name:
NoneFormula:
C22H35O13N5Smiles:
NC(=O)CC[C@H](NC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NC[C@@H]1O[C@H](N2CCC(=O)NC2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(CCC(N)=O)NC(C)=O.O=C1CCNC(=O)N1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.77 |
| AlogP: | -6.53 | Num_rotatable_bonds: | 11 |
| MolWt: | 577.54 | Num_heavy_atoms: | 40 |
| TPSA: | 290.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD01822
Formula: C4H6O2N2
Smiles:
O=C1CCNC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
AD09107
Formula: C8H15O3N3
Smiles:
CNC(=O)C(CCC(N)=O)NC(C)=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 201.23 | Num_heavy_atoms: | 14 |
| TPSA: | 101.29 | NumAromaticRings: | 0 |
