Glycoside

GD145285
Name:
aeruginosin 848Formula:
C41H64O13N6Smiles:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N=C(O)C(O)Cc3ccccc3)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(O)C(O)Cc3ccccc3)C2CC1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 4 |
HBD: | 11 | FractionCSP3: | 0.71 |
AlogP: | 1.33 | Num_rotatable_bonds: | 21 |
MolWt: | 848.99 | Num_heavy_atoms: | 60 |
TPSA: | 310.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD58329
Formula: C35H56O7N6
Smiles:
CCCCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N=C(O)C(O)Cc3ccccc3)C2CC1OHBA: | 13 | RingCount: | 3 |
HBD: | 8 | FractionCSP3: | 0.69 |
AlogP: | 3.41 | Num_rotatable_bonds: | 18 |
MolWt: | 672.87 | Num_heavy_atoms: | 48 |
TPSA: | 214.15 | NumAromaticRings: | 1 |