GD033711

Name:

2-({1-[4-(3,3-dimethyloxiran-2-yl)-4-methoxybut-2-en-2-yl]-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C37H62O10

Smiles:

CO[C@H](C=C(C)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@]12C)[C@@H]1OC1(C)C

Aglycone:

COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)C1OC1(C)C

Sugarmoiety:

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

Other Identifiers

• CHEMBL3593737
• CNP0307547

AD21498

Formula: C31H52O5

Smiles:

COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)C1OC1(C)C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.94
AlogP:	5.11	Num_rotatable_bonds:	4
MolWt:	504.75	Num_heavy_atoms:	36
TPSA:	82.45	NumAromaticRings:	0