GD038179

Name:

plicamycin, mithramycin analogue mtm sa-phe

Formula:

C59H81O24N

Smiles:

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](OC)[C@H]1Cc2cc3cc(O[C@@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@@H](O[C@@H]2C[C@@H](O[C@@H]3C[C@](C)(O)[C@@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@@H](O)[C@@H](C)O1

Aglycone:

COC(=O)C(Cc1ccccc1)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O

Other Identifiers

• 6O7

AD13679

Formula: C28H29O9N

Smiles:

COC(=O)C(Cc1ccccc1)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

HBA:	10	RingCount:	4
HBD:	5	FractionCSP3:	0.32
AlogP:	1.9	Num_rotatable_bonds:	7
MolWt:	523.54	Num_heavy_atoms:	38
TPSA:	162.62	NumAromaticRings:	3