Glycoside
...
GD131046

Name:
Taxusabietane E

Formula:
C36H48O15

Smiles:
CC(=O)OCC1OC(Oc2c(C(C)C)cc3c(c2O)C24CCC(O)(OC2)C(C)(C)C4CC3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OC1CC2C3(CCC(O)(OC3)C2(C)C)c2c1cc(C(C)C)c(O)c2O.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 2 FractionCSP3: 0.69
AlogP: 3.38 Num_rotatable_bonds: 9
MolWt: 720.77 Num_heavy_atoms: 51
TPSA: 199.65 NumAromaticRings: 1

Unique Aglycone
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
AD53103
Formula: C22H30O6

Smiles:
CC(=O)OC1CC2C3(CCC(O)(OC3)C2(C)C)c2c1cc(C(C)C)c(O)c2O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.68
AlogP: 3.62 Num_rotatable_bonds: 2
MolWt: 390.48 Num_heavy_atoms: 28
TPSA: 96.22 NumAromaticRings: 1

Sugarmoiety
SD00012

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