Glycoside
GD117414
Name:
aeruginosin 878aFormula:
C42H66O14N6Smiles:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N(C)C(=O)C(O)Cc3ccc(O)cc3)C2CC1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N(C)C(=O)C(O)Cc3ccc(O)cc3)C2CC1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.71 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 21 |
| MolWt: | 879.02 | Num_heavy_atoms: | 62 |
| TPSA: | 318.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD46809
Formula: C36H58O8N6
Smiles:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N(C)C(=O)C(O)Cc3ccc(O)cc3)C2CC1O| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 18 |
| MolWt: | 702.89 | Num_heavy_atoms: | 50 |
| TPSA: | 222.1 | NumAromaticRings: | 1 |
