Glycoside
GD144191
Name:
aeruginosin 850Formula:
C41H66O13N6Smiles:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N=C(O)C(O)Cc3ccc(O)cc3)C2CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N=C(O)C(O)Cc3ccc(O)cc3)C2CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.73 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 21 |
| MolWt: | 851.01 | Num_heavy_atoms: | 60 |
| TPSA: | 313.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD50440
Formula: C35H56O8N6
Smiles:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N=C(O)C(O)Cc3ccc(O)cc3)C2CC1O| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 18 |
| MolWt: | 688.87 | Num_heavy_atoms: | 49 |
| TPSA: | 234.38 | NumAromaticRings: | 1 |
