GD141774

Name:

methyl N-(4-amino-6-{[17-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-27-hydroxy-3,4,8,12,18,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,11,14,24(27)-pentaen-9-yl]oxy}-2,4-dimethyloxan-3-yl)carbamate

Formula:

C54H80O15N2

Smiles:

COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(O)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C)=CC4C=C2C)OC3=O)CC1(C)N

Aglycone:

COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C)=CC4C=C2C)OC3=O)CC1(C)N

Sugarmoiety:

CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O

Other Identifiers

• CNP0252952

AD57089

Formula: C42H60O9N2

Smiles:

COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C)=CC4C=C2C)OC3=O)CC1(C)N

HBA:	11	RingCount:	6
HBD:	5	FractionCSP3:	0.69
AlogP:	6.19	Num_rotatable_bonds:	3
MolWt:	736.95	Num_heavy_atoms:	53
TPSA:	170.13	NumAromaticRings:	0