GD032643

Name:

THEVETIN B

Formula:

C42H66O18

Smiles:

CO[C@@H]1C(O)[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL263601
• CNP0258315

AD01378

Formula: C23H34O4

Smiles:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	3.6	Num_rotatable_bonds:	1
MolWt:	374.52	Num_heavy_atoms:	27
TPSA:	66.76	NumAromaticRings:	0