GD136390

Name:

4-{14-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-6-yl}-2,5-dihydrofuran-2-one

Formula:

C42H64O18

Smiles:

COC1C(O)C(OC2CCC3(C)C(CCC45OC46CCC(C4=CC(=O)OC4)C6(C)CCC35)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC12CCC(O)CC1CCC13OC14CCC(C1=CC(=O)OC1)C4(C)CCC23

Sugarmoiety:

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0158013

AD02504

Formula: C23H32O4

Smiles:

CC12CCC(O)CC1CCC13OC14CCC(C1=CC(=O)OC1)C4(C)CCC23

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.87
AlogP:	3.76	Num_rotatable_bonds:	1
MolWt:	372.51	Num_heavy_atoms:	27
TPSA:	59.06	NumAromaticRings:	0