Glycoside
...
GD020764

Name:
None

Formula:
C29H33O11NS

Smiles:
CC(=O)OC1C(SC2C=C[C@@H]3[C@@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)OC(C(=O)O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CN1CCC23c4c5ccc(O)c4OC2C(S)C=CC3C1C5

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 2 FractionCSP3: 0.59
AlogP: 1.54 Num_rotatable_bonds: 6
MolWt: 603.65 Num_heavy_atoms: 42
TPSA: 158.13 NumAromaticRings: 1

Unique Aglycone
AD00896
Formula: C17H19O2NS

Smiles:
CN1CCC23c4c5ccc(O)c4OC2C(S)C=CC3C1C5
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.53
AlogP: 2.14 Num_rotatable_bonds: 0
MolWt: 301.41 Num_heavy_atoms: 21
TPSA: 32.7 NumAromaticRings: 1

Sugarmoiety
SD01333

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