GD033067

Name:

Hainaneoside B

Formula:

C63H89O23N

Smiles:

CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@]5(O)C4C[C@H](OC(=O)c4cccnc4)[C@]4(C)[C@](O)([C@H](C)OC(=O)C=Cc6ccccc6)CC[C@]54O)C3)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O

Aglycone:

CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

• CHEMBL2368503
• CNP0196882

AD21132

Formula: C36H43O8N

Smiles:

CC(OC(=O)C=Cc1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

HBA:	9	RingCount:	6
HBD:	4	FractionCSP3:	0.53
AlogP:	4.15	Num_rotatable_bonds:	6
MolWt:	617.74	Num_heavy_atoms:	45
TPSA:	146.41	NumAromaticRings:	2