GD021935

Name:

None

Formula:

C101H140O28

Smiles:

CC(=O)OC1C(O[C@H]2CC3C4CC=C5CC(OC(=O)c6ccc(C(=O)OC7CC[C@]8(C)C(=CCC9C8CC[C@]8(C)C9C[C@@H](OC9OCC(O)C(OC%10OCC(O)C(O)C%10OC(C)c%10ccccc%10)C9OC(C)=O)[C@]8(O)CC(=O)CCC(C)C)C7)cc6)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)CC1(O)C(O)CC2C3CC=C4CC(OC(=O)c5ccc(C(=O)OC6CCC7(C)C(=CCC8C7CCC7(C)C8CC(O)C7(O)C(C)C(=O)CCC(C)C)C6)cc5)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

• CHEMBL412995

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

AD14929

Formula: C61H88O10

Smiles:

CC(C)CCC(=O)CC1(O)C(O)CC2C3CC=C4CC(OC(=O)c5ccc(C(=O)OC6CCC7(C)C(=CCC8C7CCC7(C)C8CC(O)C7(O)C(C)C(=O)CCC(C)C)C6)cc5)CCC4(C)C3CCC21C

HBA:	10	RingCount:	9
HBD:	4	FractionCSP3:	0.77
AlogP:	11.1	Num_rotatable_bonds:	14
MolWt:	981.36	Num_heavy_atoms:	71
TPSA:	167.66	NumAromaticRings:	1