Glycoside
...
GD033657

Name:
None

Formula:
C35H37O13NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(-c3cc(=O)c4c(O)cc(O)c(C5=CCN(C)CC5)c4o3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4)oc23)CC1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 2 FractionCSP3: 0.4
AlogP: 3.77 Num_rotatable_bonds: 9
MolWt: 711.74 Num_heavy_atoms: 50
TPSA: 188.34 NumAromaticRings: 3

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
AD17835
Formula: C21H19O4NS

Smiles:
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4)oc23)CC1
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.19
AlogP: 3.88 Num_rotatable_bonds: 2
MolWt: 381.45 Num_heavy_atoms: 27
TPSA: 73.91 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O