GD015399

Name:

None

Formula:

C67H96O22

Smiles:

CC(=O)OC1C(O[C@H]2CC3C4CC=C5C[C@H](OC6OCC(O)C(OC7OCC(O)C(O)C7OC(C)c7ccccc7)C6OC(C)=O)CC[C@@]5(C)C4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OCC(O)C1OC1OCC(O)C(O)C1OC(C)c1ccccc1

Aglycone:

CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.CC(O)c1ccccc1.CC(O)c1ccccc1

Sugarmoiety:

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O.CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

• CHEMBL413464

AD01328

Formula: C27H44O4

Smiles:

CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

HBA:	4	RingCount:	4
HBD:	3	FractionCSP3:	0.89
AlogP:	4.65	Num_rotatable_bonds:	5
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	77.76	NumAromaticRings:	0

AD07101

Formula: C8H10O

Smiles:

CC(O)c1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.25
AlogP:	1.74	Num_rotatable_bonds:	1
MolWt:	122.17	Num_heavy_atoms:	9
TPSA:	20.23	NumAromaticRings:	1