GD022625

Name:

None

Formula:

C50H78O15S

Smiles:

CCC(C)[C@@H]1O[C@@]2(CC[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@H]([S+]([O-])CCO)[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(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.COC1CC(O)OC(C)C1[S+]([O-])CCO

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CHEMBL203220

AD02409

Formula: C34H50O8

Smiles:

CCC(C)C1OC2(CCC1C)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:	0.74
AlogP:	4.53	Num_rotatable_bonds:	2
MolWt:	586.77	Num_heavy_atoms:	42
TPSA:	114.68	NumAromaticRings:	0

AD13769

Formula: C9H18O5S

Smiles:

COC1CC(O)OC(C)C1[S+]([O-])CCO

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.76	Num_rotatable_bonds:	4
MolWt:	238.3	Num_heavy_atoms:	15
TPSA:	81.98	NumAromaticRings:	0