GD026333

Name:

None

Formula:

C68H94O27N4

Smiles:

CC(=O)OC[C@@H]1O[C@@H](O[C@H]2[C@H](COC(C)=O)O[C@@H](n3cc(CN4C[C@H](C)C[C@@H]5O[C@]6(CC[C@@H]7C(=C6C)C[C@@H]6[C@H]7CC=C7C[C@H](O)CC[C@]76C)[C@H](C)[C@H]54)nn3)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(CC3=C[N]N=N3)C1C2C.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL404876

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD02091

Formula: C30H43O2N4

Smiles:

CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(CC3=C[N]N=N3)C1C2C

HBA:	6	RingCount:	7
HBD:	1	FractionCSP3:	0.8
AlogP:	5.54	Num_rotatable_bonds:	2
MolWt:	491.7	Num_heavy_atoms:	36
TPSA:	71.52	NumAromaticRings:	0