Glycoside
...
GD009445

Name:
None

Formula:
C30H41O9N3

Smiles:
CCCC(=O)OC[C@@H]1O[C@H](n2cc(-c3ccccc3)nn2)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC

Aglycone:
C1=C(c2ccccc2)N=N[N]1.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.6
AlogP: 4.32 Num_rotatable_bonds: 15
MolWt: 587.67 Num_heavy_atoms: 42
TPSA: 145.14 NumAromaticRings: 2

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01168
Formula: C5H10O2

Smiles:
CCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD04561
Formula: C8H6N3

Smiles:
C1=C(c2ccccc2)N=N[N]1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.97 Num_rotatable_bonds: 1
MolWt: 144.16 Num_heavy_atoms: 11
TPSA: 38.82 NumAromaticRings: 1

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1