GD017519

Name:

(6-{[6-({4-[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-methylpent-4-en-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:

C46H76O20

Smiles:

C=C[C@](C)(CC[C@@]1(C)C(C)CC(OC2OC(C)C(OC3OC(COC(C)=O)C(O)C(O)C3O)C(O)C2O)[C@]2(C)C(C)=CCCC12)OC1OC(C)C(O[C@@H]2O[C@H](C)C(O)C(O)[C@H]2O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12.COC(C)=O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1698335
• CNP0118799

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD12492

Formula: C20H34O2

Smiles:

C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12

HBA:	2	RingCount:	2
HBD:	2	FractionCSP3:	0.8
AlogP:	4.47	Num_rotatable_bonds:	4
MolWt:	306.49	Num_heavy_atoms:	22
TPSA:	40.46	NumAromaticRings:	0