GD117080

Name:

2-({3,4-dihydroxy-6-[(5-hydroxy-2-{[15-(2-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-2,6,6,10-tetramethyl-17-oxapentacyclo[14.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]nonadecan-7-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C64H106O31

Smiles:

CC(C)=CC(CC(C)(O)C1C2CC3(CO2)C1CCC1C2(C)CCC(OC4OCC(O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C2CCC13C)OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(C)=CC(O)CC(C)(O)C1C2CC3(CO2)C1CCC1C2(C)CCC(O)C(C)(C)C2CCC13C

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0092163

AD46624

Formula: C30H50O4

Smiles:

CC(C)=CC(O)CC(C)(O)C1C2CC3(CO2)C1CCC1C2(C)CCC(O)C(C)(C)C2CCC13C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	5.49	Num_rotatable_bonds:	4
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0