GD117640

Name:

Viriplanin A

Formula:

C80H111O34N3

Smiles:

COC(=O)C1c2cc3c(c(O)c2C(OC2CC(O)C(OC4CC(O)C(OC5CC(C)(N=O)C(OC6CC(OC)C(OC(=O)C(C)=CC(=O)O)C(C)O6)C(C)O5)C(C)O4)C(C)O2)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)CC1CC(N(C)C)C(OC3CC(O)C(OC4CC(C)(N=O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)C(C)O3)C2(C)O1

Aglycone:

CC(=CC(=O)O)C(=O)O.CC1OC(O)CC(C)(N=O)C1O.CC1OC(O)CC(C)(N=O)C1O.COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)CC1CC(N(C)C)C(O)C2(C)O1

Sugarmoiety:

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O.CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0323445

AD46931

Formula: C5H6O4

Smiles:

CC(=CC(=O)O)C(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.2
AlogP:	0.1	Num_rotatable_bonds:	2
MolWt:	130.1	Num_heavy_atoms:	9
TPSA:	74.6	NumAromaticRings:	0

AD46932

Formula: C7H13O4N

Smiles:

CC1OC(O)CC(C)(N=O)C1O

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	0.0	Num_rotatable_bonds:	1
MolWt:	175.18	Num_heavy_atoms:	12
TPSA:	79.12	NumAromaticRings:	0

AD46933

Formula: C30H33O10N

Smiles:

COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)CC1CC(N(C)C)C(O)C2(C)O1

HBA:	11	RingCount:	6
HBD:	5	FractionCSP3:	0.5
AlogP:	1.17	Num_rotatable_bonds:	2
MolWt:	567.59	Num_heavy_atoms:	41
TPSA:	174.06	NumAromaticRings:	2