Glycoside
GD032047
Name:
NoneFormula:
C132H222O35N40Smiles:
NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC[C@@H]2O[C@H](O[C@@]3(COCCCCc4cn(CCCCCC(=O)N[C@H](CO)C(N)=O)nn4)O[C@H](COCCCCc4cn(CCCCCC(=O)N[C@H](CO)C(N)=O)nn4)[C@H](OCCCCc4cn(CCCCCC(=O)N[C@H](CO)C(N)=O)nn4)[C@H]3OCCCCc3cn(CCCCCC(=O)N[C@H](CO)C(N)=O)nn3)[C@H](OCCCCc3cn(CCCCCC(=O)N[C@H](CO)C(N)=O)nn3)[C@H](OCCCCc3cn(CCCCCC(=O)N[C@H](CO)C(N)=O)nn3)[C@H]2OCCCCc2cn(CCCCCC(=O)N[C@H](CO)C(N)=O)nn2)nn1Aglycone:
COCCCCc1cn(CCCCCC(=O)NC(CO)C(N)=O)nn1.COCCCCc1cn(CCCCCC(=O)NC(CO)C(N)=O)nn1.COCCCCc1cn(CCCCCC(=O)NC(CO)C(N)=O)nn1.NC(=O)C(CO)NC(=O)CCCCCn1cc(CCCCO)nn1.NC(=O)C(CO)NC(=O)CCCCCn1cc(CCCCO)nn1.NC(=O)C(CO)NC(=O)CCCCCn1cc(CCCCO)nn1.NC(=O)C(CO)NC(=O)CCCCCn1cc(CCCCO)nn1.NC(=O)C(CO)NC(=O)CCCCCn1cc(CCCCO)nn1Sugarmoiety:
OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 75 | RingCount: | 10 |
| HBD: | 32 | FractionCSP3: | 0.76 |
| AlogP: | -4.1 | Num_rotatable_bonds: | 125 |
| MolWt: | 2929.47 | Num_heavy_atoms: | 207 |
| TPSA: | 1086.57 | NumAromaticRings: | 8 |
Unique Aglycone
AD20584
Formula: C16H29O4N5
Smiles:
COCCCCc1cn(CCCCCC(=O)NC(CO)C(N)=O)nn1| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 14 |
| MolWt: | 355.44 | Num_heavy_atoms: | 25 |
| TPSA: | 132.36 | NumAromaticRings: | 1 |
AD20585
Formula: C15H27O4N5
Smiles:
NC(=O)C(CO)NC(=O)CCCCCn1cc(CCCCO)nn1| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 13 |
| MolWt: | 341.41 | Num_heavy_atoms: | 24 |
| TPSA: | 143.36 | NumAromaticRings: | 1 |
