Glycoside
...
GD032626

Name:
None

Formula:
C28H32O15N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(NC(=O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=CNc1ccc(S)nc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 4 FractionCSP3: 0.5
AlogP: -1.64 Num_rotatable_bonds: 10
MolWt: 696.64 Num_heavy_atoms: 48
TPSA: 260.97 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD17627
Formula: C6H6ON2S

Smiles:
O=CNc1ccc(S)nc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 0.94 Num_rotatable_bonds: 2
MolWt: 154.19 Num_heavy_atoms: 10
TPSA: 41.99 NumAromaticRings: 1

Sugarmoiety
SD01471

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.OC1OC(O)C(O)C1O