GD142693

Name:

1-{2,3,3a-trihydroxy-7-[(5-{[4-hydroxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one

Formula:

C54H90O22

Smiles:

COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)C(O)C(O)C43O)C2)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:

CC(=O)C1C(O)C(O)C2(O)C3CCC4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0324291

AD03430

Formula: C21H34O5

Smiles:

CC(=O)C1C(O)C(O)C2(O)C3CCC4CC(O)CCC4(C)C3CCC12C

HBA:	5	RingCount:	4
HBD:	4	FractionCSP3:	0.95
AlogP:	1.65	Num_rotatable_bonds:	1
MolWt:	366.5	Num_heavy_atoms:	26
TPSA:	97.99	NumAromaticRings:	0