Glycoside
...
GD014015

Name:
6''-O-Isobutyrylpatulitrin.

Formula:
C26H28O14

Smiles:
COc1c(O[C@@H]2O[C@H](COC(=O)C(C)C)[C@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

Aglycone:
COC(=O)C(C)C.COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.38
AlogP: 0.68 Num_rotatable_bonds: 7
MolWt: 564.5 Num_heavy_atoms: 40
TPSA: 225.81 NumAromaticRings: 3

Unique Aglycone
AD01210
Formula: C5H10O2

Smiles:
COC(=O)C(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.82 Num_rotatable_bonds: 1
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD01718
Formula: C16H12O8

Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.06
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 332.26 Num_heavy_atoms: 24
TPSA: 140.59 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O