Glycoside
...
GD033276

Name:
None

Formula:
C53H80O16S

Smiles:
CCC(C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)C(O)(CSCC(=O)OC)C[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2

Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.COC(=O)CSC

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)CC(C)O1

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 3 FractionCSP3: 0.77
AlogP: 6.04 Num_rotatable_bonds: 12
MolWt: 1005.27 Num_heavy_atoms: 70
TPSA: 196.36 NumAromaticRings: 0

Unique Aglycone
AD00521
Formula: C34H48O8

Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.68
AlogP: 4.31 Num_rotatable_bonds: 2
MolWt: 584.75 Num_heavy_atoms: 42
TPSA: 114.68 NumAromaticRings: 0
AD02099
Formula: C4H8O2S

Smiles:
COC(=O)CSC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.52 Num_rotatable_bonds: 2
MolWt: 120.17 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01186

COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)CC(C)O1