GD131081

Name:

6-{[6-({6-[(6-{[5-(acetyloxy)-4-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-1-oxo-3-(1,3,4-trihydroxy-2-oxopentyl)-1,2,3,4-tetrahydroanthracen-2-yl)oxy]-3-hydroxy-2-methyloxan-4-yl}oxy)-3-hydroxy-2-methyloxan-4-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 2-methylpropanoate

Formula:

C57H82O26

Smiles:

COC1C(O)CC(OC2CC(Oc3cc(O)c4c(O)c5c(cc4c3)CC(C(O)C(=O)C(O)C(C)O)C(OC3CC(OC4CC(OC6CC(C)(O)C(OC(=O)C(C)C)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)C5=O)OC(C)C2OC(C)=O)OC1C

Aglycone:

CC(C)C(=O)O.O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O

Sugarmoiety:

CC(O)C(O)C(=O)C(O)O.CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C

Other Identifiers

• CNP0184044

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD00371

Formula: C14H12O5

Smiles:

O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.21
AlogP:	1.45	Num_rotatable_bonds:	0
MolWt:	260.24	Num_heavy_atoms:	19
TPSA:	97.99	NumAromaticRings:	2