Glycoside
GD147223
Name:
aeruginosin 736Formula:
C35H56O11N6Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(OC3OC(CO)C(O)C(O)C3O)CC21Aglycone:
CC(C)CC(N=C(O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.71 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 16 |
| MolWt: | 736.86 | Num_heavy_atoms: | 52 |
| TPSA: | 287.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD58971
Formula: C29H46O6N6
Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(O)CC21| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.66 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 574.72 | Num_heavy_atoms: | 41 |
| TPSA: | 208.08 | NumAromaticRings: | 1 |
