GD000747

Name:

None

Formula:

C77H123O41N

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H]1O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)[C@H](O)C[C@@]4(C(=O)O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4OC[C@H](O)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)[C@H](O)C[C@]23C)C1(C)C

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O.COC(C)=O

Sugarmoiety:

CC(=O)NC1C(O)OC(COC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1(O)COC(OC2C(O)COC(OC3C(O)OC(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C1O

Other Identifiers

• CHEMBL518082

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

AD00796

Formula: C30H48O5

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.9
AlogP:	5.18	Num_rotatable_bonds:	1
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0