Glycoside
...
GD002351

Name:
None

Formula:
C33H39O12NS

Smiles:
CC(=O)OCC1OC(SC2C=C[C@@H]3[C@@H]4Cc5ccc(OC(C)=O)c6c5[C@@]3(CCN4C)[C@H]2O6)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)Oc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 0 FractionCSP3: 0.61
AlogP: 2.24 Num_rotatable_bonds: 8
MolWt: 673.74 Num_heavy_atoms: 47
TPSA: 153.2 NumAromaticRings: 1

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
AD02114
Formula: C19H21O3NS

Smiles:
CC(=O)Oc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341
HBA: 4 RingCount: 5
HBD: 0 FractionCSP3: 0.53
AlogP: 2.36 Num_rotatable_bonds: 1
MolWt: 343.45 Num_heavy_atoms: 24
TPSA: 38.77 NumAromaticRings: 1

Sugarmoiety
SD00012

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