Glycoside
GD018144
Name:
CITRONAMIDE AFormula:
C39H59O15N7Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)CCCCC(N)Cc1ccc(OC)cc1)[C@H](O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](OC(N)=O)[C@H]1O)c1c[nH]c(=O)[nH]1)C(=O)N[C@H](C(=O)O)[C@H](C)CCAglycone:
CCC(C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC(N)Cc1ccc(OC)cc1)C(O)c1c[nH]c(=O)[nH]1)C(C)CC)C(=O)OSugarmoiety:
NC(=O)OC1C(O)C(O)OC(C(=O)O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.62 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 24 |
| MolWt: | 865.94 | Num_heavy_atoms: | 61 |
| TPSA: | 357.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD12853
Formula: C32H50O8N6
Smiles:
CCC(C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC(N)Cc1ccc(OC)cc1)C(O)c1c[nH]c(=O)[nH]1)C(C)CC)C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 20 |
| MolWt: | 646.79 | Num_heavy_atoms: | 46 |
| TPSA: | 228.73 | NumAromaticRings: | 2 |
