Glycoside

GD038674
Name:
2-(acetylamino)-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10e,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-glucopyranoseFormula:
C38H65O12NP2Smiles:
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)C)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 1 |
HBD: | 6 | FractionCSP3: | 0.66 |
AlogP: | 7.78 | Num_rotatable_bonds: | 24 |
MolWt: | 789.88 | Num_heavy_atoms: | 53 |
TPSA: | 201.31 | 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)OHBA: | 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 |