GD036490

Name:

None

Formula:

C78H98O19N6

Smiles:

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C(=O)C=C3[C@@H]5C[C@@](C)(C(=O)N[C@H](Cc6c[nH]c7ccccc67)C(=O)OC)CC[C@@]5(C)CC[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)C(Cc1c[nH]c2ccccc12)NC=O.COC(=O)C(Cc1c[nH]c2ccccc12)NC=O

Sugarmoiety:

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4515705

AD23005

Formula: C42H58O5N2

Smiles:

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	7	RingCount:	7
HBD:	3	FractionCSP3:	0.69
AlogP:	7.71	Num_rotatable_bonds:	5
MolWt:	670.94	Num_heavy_atoms:	49
TPSA:	108.49	NumAromaticRings:	2

AD23006

Formula: C13H14O3N2

Smiles:

COC(=O)C(Cc1c[nH]c2ccccc12)NC=O

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.23
AlogP:	1.0	Num_rotatable_bonds:	5
MolWt:	246.27	Num_heavy_atoms:	18
TPSA:	71.19	NumAromaticRings:	2