GD039585

Name:

(8alpha,9beta,10alpha,13alpha)-13-{[alpha-l-allopyranosyl-(1->2)-[beta-d-mannopyranosyl-(1->3)]-beta-d-allopyranosyl]oxy}kauran-18-oic acid

Formula:

C38H62O18

Smiles:

C[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@H]2CC[C@@]1(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)[C@@H]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C3

Aglycone:

CC1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• LRV

AD24463

Formula: C20H32O3

Smiles:

CC1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.95
AlogP:	4.23	Num_rotatable_bonds:	1
MolWt:	320.47	Num_heavy_atoms:	23
TPSA:	57.53	NumAromaticRings:	0