GD133335

Name:

6,22-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-16,32-bis(3,4,5-trimethoxyphenyl)-3,10,12,19,26,28-hexaoxaheptacyclo[19.11.0.0⁵,¹⁷.0⁷,¹⁵.0⁹,¹³.0²³,³¹.0²⁵,²⁹]dotriaconta-7(15),8,13,23(31),24,29-hexaene-2,18-dione

Formula:

C56H64O26

Smiles:

COc1cc(C2c3cc4c(cc3C(OC3OC(CO)C(O)C(O)C3O)C3COC(=O)C5C(c6cc(OC)c(OC)c(OC)c6)c6cc7c(cc6C(OC6OC(CO)C(O)C(O)C6O)C5COC(=O)C23)OCO7)OCO4)cc(OC)c1OC

Aglycone:

COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C5C(c6cc(OC)c(OC)c(OC)c6)c6cc7c(cc6C(O)C5COC(=O)C23)OCO7)OCO4)cc(OC)c1OC

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0233960

AD53969

Formula: C44H44O16

Smiles:

COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C5C(c6cc(OC)c(OC)c(OC)c6)c6cc7c(cc6C(O)C5COC(=O)C23)OCO7)OCO4)cc(OC)c1OC

HBA:	16	RingCount:	9
HBD:	2	FractionCSP3:	0.41
AlogP:	4.82	Num_rotatable_bonds:	8
MolWt:	828.82	Num_heavy_atoms:	60
TPSA:	185.36	NumAromaticRings:	4