GD115742

Name:

4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 2-hydroxy-2-(7-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-enoate

Formula:

C60H100O28

Smiles:

CC(C)=CCCC(O)(C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(CO)C3CCC12C

Aglycone:

CC(C)=CCCC(O)(C(=O)O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(CO)C3CCC12C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0289575

AD45845

Formula: C30H50O5

Smiles:

CC(C)=CCCC(O)(C(=O)O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(CO)C3CCC12C

HBA:	5	RingCount:	4
HBD:	4	FractionCSP3:	0.9
AlogP:	5.57	Num_rotatable_bonds:	6
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0