GD023245

Name:

None

Formula:

C63H96O20

Smiles:

CC[C@H](C)C(=O)O[C@H](C)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@H](O[C@@H]5C[C@H](OC)[C@H](O[C@@H]6C[C@H](OC)[C@H](O[C@@H]7C[C@H](OC)[C@H](O[C@@H]8C[C@H](OC)[C@H](O)[C@H](C)O8)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)CC[C@@]4(C)[C@H]3C[C@H](OC(=O)C=Cc3ccccc3)[C@]12C

Aglycone:

CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL4299299

AD15656

Formula: C35H48O8

Smiles:

CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

HBA:	8	RingCount:	5
HBD:	4	FractionCSP3:	0.66
AlogP:	4.48	Num_rotatable_bonds:	7
MolWt:	596.76	Num_heavy_atoms:	43
TPSA:	133.52	NumAromaticRings:	1