GD000141

Name:

None

Formula:

C36H37O12N

Smiles:

CC[C@@H]1O[C@H](O[C@@H]2c3cc4c(cc3[C@@H]3[C@H]2OC(=O)[C@]32C(=O)C=Cc3c(C)cc(OC)cc32)[C@](O)([C@@H]2COC(=O)O2)C=C4)[C@H](NC)[C@H](O)[C@H]1O

Aglycone:

COc1cc(C)c2c(c1)C1(C(=O)C=C2)C(=O)OC2C(O)c3cc4c(cc3C21)C(O)(C1COC(=O)O1)C=C4

Sugarmoiety:

CCC1OC(O)C(NC)C(O)C1O

Other Identifiers

• CHEMBL387496

AD00173

Formula: C28H22O9

Smiles:

COc1cc(C)c2c(c1)C1(C(=O)C=C2)C(=O)OC2C(O)c3cc4c(cc3C21)C(O)(C1COC(=O)O1)C=C4

HBA:	9	RingCount:	7
HBD:	2	FractionCSP3:	0.32
AlogP:	2.34	Num_rotatable_bonds:	2
MolWt:	502.48	Num_heavy_atoms:	37
TPSA:	128.59	NumAromaticRings:	2