Glycoside
GD131527
Name:
Citronamide AFormula:
C39H59O15N7Smiles:
CCC(C)C(N=C(O)C(N=C(O)C(N=C(O)CCCCC(N)Cc1ccc(OC)cc1)C(OC1OC(C(=O)O)C(O)C(OC(=N)O)C1O)c1cnc(O)[nH]1)C(C)CC)C(=O)OAglycone:
CCC(C)C(N=C(O)C(N=C(O)C(N=C(O)CCCCC(N)Cc1ccc(OC)cc1)C(O)c1cnc(O)[nH]1)C(C)CC)C(=O)OSugarmoiety:
N=C(O)OC1C(O)C(O)OC(C(=O)O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.62 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 24 |
| MolWt: | 865.94 | Num_heavy_atoms: | 61 |
| TPSA: | 368.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD53283
Formula: C32H50O8N6
Smiles:
CCC(C)C(N=C(O)C(N=C(O)C(N=C(O)CCCCC(N)Cc1ccc(OC)cc1)C(O)c1cnc(O)[nH]1)C(C)CC)C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 20 |
| MolWt: | 646.79 | Num_heavy_atoms: | 46 |
| TPSA: | 239.46 | NumAromaticRings: | 2 |
