GD009055

Name:

None

Formula:

C82H73O28N7S

Smiles:

COC(=O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H](n5cc6ccccc6c5S[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)[C@H]2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Aglycone:

COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(n5cc6ccccc6c5S)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL2151338

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD06541

Formula: C68H55O19N7S

Smiles:

COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(n5cc6ccccc6c5S)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)C(O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

HBA:	26	RingCount:	15
HBD:	14	FractionCSP3:	0.16
AlogP:	6.4	Num_rotatable_bonds:	2
MolWt:	1306.29	Num_heavy_atoms:	95
TPSA:	395.36	NumAromaticRings:	9