Glycoside
...
GD027767

Name:
None

Formula:
C45H71O19N8FP2

Smiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OC3CC(n4cc(F)c(=O)[nH]c4=O)OC3COP(=O)(O)OCC3OC(n4ccc(N)nc4=O)C(O)C3O)C(O)C2O)c(=O)n1

Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1OP(=O)(O)OC.Nc1cc[nH]c(=O)n1

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 6
HBD: 10 FractionCSP3: 0.73
AlogP: 2.61 Num_rotatable_bonds: 32
MolWt: 1109.05 Num_heavy_atoms: 75
TPSA: 382.82 NumAromaticRings: 3

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
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
AD18212
Formula: C11H17O11N2FP2

Smiles:
COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1OP(=O)(O)OC
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.64
AlogP: -0.14 Num_rotatable_bonds: 8
MolWt: 434.21 Num_heavy_atoms: 27
TPSA: 175.61 NumAromaticRings: 1

Sugarmoiety
SD00025

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O