GD020736

Name:

None

Formula:

C85H147O29N3

Smiles:

CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@@H]3C[C@H](C)O[C@H](O[C@@H]4[C@H](C)[C@H](O[C@@H]5C[C@@](C)(OC)[C@H](O)[C@H](C)O5)[C@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@]4(C)OC)[C@H]3O)[C@H]2O)[C@@](C)(O)C[C@H](C)C(=NOCc2cc(OC)c(OC)c(OC)c2)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCc5cc(OC)c(OC)c(OC)c5)C(C)CC4(C)O)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O

Sugarmoiety:

COC1(C)CC(O)OC(C)C1O.COC1(C)CC(O)OC(C)C1O

Other Identifiers

• CHEMBL3220395

AD14268

Formula: C69H119O23N3

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCc5cc(OC)c(OC)c(OC)c5)C(C)CC4(C)O)C3O)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O

HBA:	26	RingCount:	5
HBD:	9	FractionCSP3:	0.86
AlogP:	4.16	Num_rotatable_bonds:	18
MolWt:	1358.71	Num_heavy_atoms:	95
TPSA:	353.65	NumAromaticRings:	1