Glycoside
...
GD000340

Name:
None

Formula:
C42H68O16N8P2

Smiles:
C#CC1(O)C(COP(=O)(O)OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N=[N+]=[N-])OC(n2ccc(N)nc2=O)C1O

Aglycone:
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OP(=O)(O)OC.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 7 FractionCSP3: 0.76
AlogP: 5.19 Num_rotatable_bonds: 33
MolWt: 1002.99 Num_heavy_atoms: 68
TPSA: 344.2 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD00387
Formula: C32H59O12N5P2

Smiles:
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OP(=O)(O)OC
HBA: 17 RingCount: 2
HBD: 3 FractionCSP3: 0.88
AlogP: 7.36 Num_rotatable_bonds: 30
MolWt: 767.8 Num_heavy_atoms: 51
TPSA: 233.6 NumAromaticRings: 1

Sugarmoiety
SD00146

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