GD121966

Name:

2-({2-[(6-{[1-(3,7-dihydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C55H94O27

Smiles:

CC(CO)CCC(O)C(C)C1C(OC2OCC(O)C(O)C2O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:

CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:

OC1COC(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0075060

AD47653

Formula: C27H48O4

Smiles:

CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C

HBA:	4	RingCount:	4
HBD:	4	FractionCSP3:	1.0
AlogP:	4.38	Num_rotatable_bonds:	6
MolWt:	436.68	Num_heavy_atoms:	31
TPSA:	80.92	NumAromaticRings:	0