GD036802

Name:

None

Formula:

C102H119O31N11Cl2

Smiles:

CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCNC(=O)[C@@H]3NC(=O)[C@@H]4NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)C6NC(=O)[C@H](Cc7ccc(c(Cl)c7)Oc7cc5cc(c7O)Oc5ccc(cc5Cl)[C@H]4O)NC(=O)[C@H](N)c4ccc(O)c(c4)Oc4cc(O)cc6c4)c4ccc(O)c(c4)-c4c(O)cc(O)cc43)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C.NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCNC(=O)O)NC3=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4560683

AD00823

Formula: C31H56O10N2

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C

HBA:	12	RingCount:	3
HBD:	3	FractionCSP3:	0.94
AlogP:	2.16	Num_rotatable_bonds:	4
MolWt:	616.79	Num_heavy_atoms:	43
TPSA:	147.46	NumAromaticRings:	0

AD23207

Formula: C63H51O19N9Cl2

Smiles:

NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCNC(=O)O)NC3=O

HBA:	28	RingCount:	13
HBD:	18	FractionCSP3:	0.18
AlogP:	4.28	Num_rotatable_bonds:	4
MolWt:	1285.03	Num_heavy_atoms:	91
TPSA:	448.35	NumAromaticRings:	7