Glycoside
GD018222
Name:
NoneFormula:
C30H49O10N9Smiles:
CCCCCCC(N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NC1O[C@H](C(N)=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCC(N)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(N)=OSugarmoiety:
NC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.7 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 18 |
| MolWt: | 695.78 | Num_heavy_atoms: | 49 |
| TPSA: | 318.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD12895
Formula: C24H40O5N8
Smiles:
CCCCCCC(N)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(N)=O| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 16 |
| MolWt: | 520.64 | Num_heavy_atoms: | 37 |
| TPSA: | 219.39 | NumAromaticRings: | 1 |
