GD115797

Name:

methyl 3,4-dihydroxy-6-{[19-(hydroxymethyl)-1,2,5,8,8,15,19-heptamethyl-6-oxo-3-oxapentacyclo[12.8.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]docos-11-en-18-yl]oxy}-5-({4,5,6-trihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)oxane-2-carboxylate

Formula:

C46H72O20

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(=O)C5(C)COC34C)C2(C)CO)C(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)CC(=O)C2(C)COC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0283349

AD45871

Formula: C29H46O4

Smiles:

CC1(C)CC(=O)C2(C)COC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	5.31	Num_rotatable_bonds:	1
MolWt:	458.68	Num_heavy_atoms:	33
TPSA:	66.76	NumAromaticRings:	0