Glycoside
...
GD012665

Name:
None

Formula:
C28H29O11N3

Smiles:
C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(=O)Nc4cccnc4)c(=O)oc3c2C)OC(C)(C)[C@H]1OC

Aglycone:
C#CCONC(=O)O.Cc1c(O)ccc2c(O)c(C(=O)Nc3cccnc3)c(=O)oc12

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 4 FractionCSP3: 0.36
AlogP: 2.0 Num_rotatable_bonds: 8
MolWt: 583.55 Num_heavy_atoms: 42
TPSA: 187.91 NumAromaticRings: 3

Unique Aglycone
AD00474
Formula: C4H5O3N

Smiles:
C#CCONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.25
AlogP: -0.18 Num_rotatable_bonds: 2
MolWt: 115.09 Num_heavy_atoms: 8
TPSA: 58.56 NumAromaticRings: 0
AD09527
Formula: C16H12O5N2

Smiles:
Cc1c(O)ccc2c(O)c(C(=O)Nc3cccnc3)c(=O)oc12
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.16 Num_rotatable_bonds: 2
MolWt: 312.28 Num_heavy_atoms: 23
TPSA: 112.66 NumAromaticRings: 3

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C