Glycoside
GD121995
Name:
aeruginosin 752Formula:
C35H56O12N6Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CC(O)C(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)CC2CC(O)C(O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.71 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 16 |
| MolWt: | 752.86 | Num_heavy_atoms: | 53 |
| TPSA: | 307.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD49131
Formula: C29H46O7N6
Smiles:
CC(C)CC(N=C(O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CC(O)C(O)CC21| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.66 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 13 |
| MolWt: | 590.72 | Num_heavy_atoms: | 42 |
| TPSA: | 228.31 | NumAromaticRings: | 1 |
