GD021730

Name:

None

Formula:

C50H80O17N2

Smiles:

C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](NCCCN)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O

Aglycone:

CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O.NCCCN

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL503994

AD02755

Formula: C41H62O14

Smiles:

CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O

HBA:	14	RingCount:	2
HBD:	10	FractionCSP3:	0.61
AlogP:	1.89	Num_rotatable_bonds:	1
MolWt:	778.93	Num_heavy_atoms:	55
TPSA:	254.9	NumAromaticRings:	0

AD11821

Formula: C3H10N2

Smiles:

NCCCN

HBA:	2	RingCount:	0
HBD:	4	FractionCSP3:	1.0
AlogP:	-0.71	Num_rotatable_bonds:	2
MolWt:	74.13	Num_heavy_atoms:	5
TPSA:	52.04	NumAromaticRings:	0