Glycoside
...
GD016415

Name:
None

Formula:
C62H103O17N6P

Smiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC3OC(n4ccc(NC(=O)CCCCCCCCCCCCCCCCC)nc4=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1

Aglycone:
CCCCCCCCCCCCCCCCCC(=O)Nc1cc[nH]c(=O)n1.CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.COP(=O)(O)OC

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 4
HBD: 3 FractionCSP3: 0.79
AlogP: 12.03 Num_rotatable_bonds: 47
MolWt: 1235.5 Num_heavy_atoms: 86
TPSA: 290.33 NumAromaticRings: 2

Unique Aglycone
AD02079
Formula: C22H41ON3

Smiles:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.82
AlogP: 6.44 Num_rotatable_bonds: 18
MolWt: 363.59 Num_heavy_atoms: 26
TPSA: 57.78 NumAromaticRings: 1
AD02080
Formula: C2H7O4P

Smiles:
COP(=O)(O)OC
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.38 Num_rotatable_bonds: 2
MolWt: 126.05 Num_heavy_atoms: 7
TPSA: 55.76 NumAromaticRings: 0
AD08023
Formula: C22H39O2N3

Smiles:
CCCCCCCCCCCCCCCCCC(=O)Nc1cc[nH]c(=O)n1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.77
AlogP: 5.97 Num_rotatable_bonds: 17
MolWt: 377.57 Num_heavy_atoms: 27
TPSA: 74.85 NumAromaticRings: 1

Sugarmoiety
SD01210

CC(=O)OC1C(O)OC(O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C1OC(C)=O