Glycoside
...
GD039950

Name:
2-(acetylamino)-2-deoxy-1-o-[(s)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-d-glucopyranose

Formula:
C48H81O12NP2

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

Aglycone:
CC(C)=CCCC(C)=CCCC(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(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 6 FractionCSP3: 0.65
AlogP: 11.23 Num_rotatable_bonds: 30
MolWt: 926.12 Num_heavy_atoms: 63
TPSA: 201.31 NumAromaticRings: 0

Unique Aglycone
AD24604
Formula: C40H68O7P2

Smiles:
CC(C)=CCCC(C)=CCCC(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: 13.26 Num_rotatable_bonds: 26
MolWt: 722.93 Num_heavy_atoms: 49
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00014

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