GD036478

Name:

8-{[3-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one

Formula:

C42H64O15

Smiles:

CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6C(=O)O[C@@H]7CO[C@]8(C)OC=C(CC[C@H]65)[C@H]78)C4)[C@@H](O)[C@H]3OC)C[C@H]2OC)O[C@@H](C)[C@H]1O

Aglycone:

CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(O)C(O)C3OC)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL4211117
• CNP0222155

AD00194

Formula: C21H28O5

Smiles:

CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.76
AlogP:	3.08	Num_rotatable_bonds:	0
MolWt:	360.45	Num_heavy_atoms:	26
TPSA:	64.99	NumAromaticRings:	0