GD108757

Name:

6-(1-{4-hydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl)-4-methyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydro-2H-pyran-2-one

Formula:

C34H48O10

Smiles:

CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1

Aglycone:

CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC=CC(=O)C5(C)C4CCC23C)C1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• ZINC000252585089
• CNP0200033

AD44480

Formula: C28H38O5

Smiles:

CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC=CC(=O)C5(C)C4CCC23C)C1

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.71
AlogP:	4.14	Num_rotatable_bonds:	3
MolWt:	454.61	Num_heavy_atoms:	33
TPSA:	83.83	NumAromaticRings:	0