Glycoside
...
GD001472

Name:
PSEUDOPTEROSIN W

Formula:
C29H40O8

Smiles:
CC(=O)O[C@@H]1CO[C@@H](Oc2c(C)c3c4c(c2O)[C@H](C)CC[C@H]4[C@H](C)C[C@H]3C=C(C)C)[C@@H](O)[C@H]1OC(C)=O

Aglycone:
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(O)c(C)c1c32

Sugarmoiety:
CC(=O)OC1COC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.66
AlogP: 4.73 Num_rotatable_bonds: 5
MolWt: 516.63 Num_heavy_atoms: 37
TPSA: 111.52 NumAromaticRings: 1

Unique Aglycone
AD01472
Formula: C20H28O2

Smiles:
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(O)c(C)c1c32
HBA: 2 RingCount: 3
HBD: 2 FractionCSP3: 0.6
AlogP: 5.48 Num_rotatable_bonds: 1
MolWt: 300.44 Num_heavy_atoms: 22
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD00392

CC(=O)OC1COC(O)C(O)C1OC(C)=O