Glycoside
...
GD032246

Name:
None

Formula:
C34H49O9N3

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

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

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.65
AlogP: 5.88 Num_rotatable_bonds: 19
MolWt: 643.78 Num_heavy_atoms: 46
TPSA: 145.14 NumAromaticRings: 2

Unique Aglycone
AD01564
Formula: C5H10O2

Smiles:
CCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.26 Num_rotatable_bonds: 3
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 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
AD07225
Formula: C6H12O2

Smiles:
CCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.35 Num_rotatable_bonds: 3
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01013

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