GD140345

Name:

None

Formula:

C65H92O23N2

Smiles:

COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C=C(C=O)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Aglycone:

CC1OC(O)CCC1O.COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(O)C(C)O6)C=C(C=O)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CNP0462053

AD00171

Formula: C6H12O3

Smiles:

CC1OC(O)CCC1O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.14	Num_rotatable_bonds:	0
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	49.69	NumAromaticRings:	0

AD56591

Formula: C53H72O18N2

Smiles:

COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(O)C(C)O6)C=C(C=O)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

HBA:	20	RingCount:	8
HBD:	6	FractionCSP3:	0.68
AlogP:	4.03	Num_rotatable_bonds:	10
MolWt:	1025.15	Num_heavy_atoms:	73
TPSA:	283.13	NumAromaticRings:	0