Glycoside
...
GD112491

Name:
None

Formula:
C40H48O17

Smiles:
CCC(=O)OC[C@@H]1O[C@@H](O[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@H]23)OCO4)[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC

Aglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)OC.COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 0 FractionCSP3: 0.57
AlogP: 4.08 Num_rotatable_bonds: 15
MolWt: 800.81 Num_heavy_atoms: 57
TPSA: 196.11 NumAromaticRings: 2

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD02190
Formula: C22H22O8

Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC
HBA: 8 RingCount: 5
HBD: 1 FractionCSP3: 0.41
AlogP: 2.41 Num_rotatable_bonds: 4
MolWt: 414.41 Num_heavy_atoms: 30
TPSA: 92.68 NumAromaticRings: 2
AD04957
Formula: C4H8O2

Smiles:
CCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.57 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1