GD119402

Name:

Taxusabietane D

Formula:

C38H50O16

Smiles:

CC(=O)OCC1OC(Oc2c(C(C)C)cc3c(c2O)C2(COC(C)=O)CCC(=O)C(C)(C)C2CC3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OCC12CCC(=O)C(C)(C)C1CC(OC(C)=O)c1cc(C(C)C)c(O)c(O)c12.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0145090

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

AD47828

Formula: C24H32O7

Smiles:

CC(=O)OCC12CCC(=O)C(C)(C)C1CC(OC(C)=O)c1cc(C(C)C)c(O)c(O)c12

HBA:	7	RingCount:	3
HBD:	2	FractionCSP3:	0.62
AlogP:	4.04	Num_rotatable_bonds:	4
MolWt:	432.51	Num_heavy_atoms:	31
TPSA:	110.13	NumAromaticRings:	1