Glycoside
...
GD039448

Name:
2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-mannopyranosyl]-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10z,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose

Formula:
C46H78O17N2P2

Smiles:
CC(=O)N[C@@H]1[C@@H](O[C@H]2[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[C@@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 2
HBD: 9 FractionCSP3: 0.7
AlogP: 5.75 Num_rotatable_bonds: 28
MolWt: 993.07 Num_heavy_atoms: 67
TPSA: 289.33 NumAromaticRings: 0

Unique Aglycone
AD24095
Formula: C30H52O7P2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: 9.81 Num_rotatable_bonds: 20
MolWt: 586.69 Num_heavy_atoms: 39
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00093

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O