GD153492

Name:

2-{[2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-7-methyloct-6-en-2-yl]oxy}-6-({[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:

C59H100O26

Smiles:

CC(C)=CCCCC(C)(OC1OC(COC2OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:

CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0387255

AD45997

Formula: C31H54O3

Smiles:

CC(C)=CCCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.94
AlogP:	6.89	Num_rotatable_bonds:	5
MolWt:	474.77	Num_heavy_atoms:	34
TPSA:	60.69	NumAromaticRings:	0