Glycoside
...
GD031419

Name:
None

Formula:
C45H65O16N2P2

Smiles:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)([O-])O[C@H](C)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@](C)(O)[C@H]2O)cc1

Aglycone:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)([O-])OCC)cc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 3 FractionCSP3: 0.6
AlogP: 8.07 Num_rotatable_bonds: 30
MolWt: 951.96 Num_heavy_atoms: 65
TPSA: 251.27 NumAromaticRings: 3

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD20244
Formula: C36H55O11P2

Smiles:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)([O-])OCC)cc1
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.61
AlogP: 10.14 Num_rotatable_bonds: 28
MolWt: 725.77 Num_heavy_atoms: 49
TPSA: 146.72 NumAromaticRings: 2

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O