Glycoside
...
GD019770

Name:
None

Formula:
C44H64O19N3P3

Smiles:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccnc(C(N)=O)c3=O)[C@H](O)[C@H]2O)cc1

Aglycone:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)(O)OP(=O)(O)OC)cc1.NC(=O)c1ncc[nH]c1=O

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 6 FractionCSP3: 0.57
AlogP: 7.85 Num_rotatable_bonds: 33
MolWt: 1031.92 Num_heavy_atoms: 69
TPSA: 318.09 NumAromaticRings: 3

Unique Aglycone
AD00903
Formula: C5H5O2N3

Smiles:
NC(=O)c1ncc[nH]c1=O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -1.13 Num_rotatable_bonds: 1
MolWt: 139.11 Num_heavy_atoms: 10
TPSA: 88.84 NumAromaticRings: 1
AD13752
Formula: C35H55O14P3

Smiles:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)(O)OP(=O)(O)OC)cc1
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.6
AlogP: 10.5 Num_rotatable_bonds: 29
MolWt: 792.73 Num_heavy_atoms: 52
TPSA: 190.42 NumAromaticRings: 2

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O