GD150373

Name:

(4,5-dihydroxy-6-{[5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-methylbut-2-enoate

Formula:

C64H104O29

Smiles:

CC=C(C)C(=O)OCC1OC(OC2CC3(CO)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OC(COC9OCC(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1O.CC=C(C)C(=O)OC

Sugarmoiety:

OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0219983

AD45418

Formula: C6H10O2

Smiles:

CC=C(C)C(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.5
AlogP:	1.13	Num_rotatable_bonds:	1
MolWt:	114.14	Num_heavy_atoms:	8
TPSA:	26.3	NumAromaticRings:	0

AD49857

Formula: C30H50O4

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1O

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	1
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0