Glycoside
...
GD133036

Name:
None

Formula:
C27H27O17

Smiles:
O=C(O)CC(=O)OCC1OC(OC2=C(c3ccc(O)c(O)c3)OC3C=C([OH2+])C=C(O)C3=C2)C(O)C(OC(=O)CC(=O)O)C1O

Aglycone:
COC(=O)CC(=O)O.O=C(O)CC(=O)O.OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 9 FractionCSP3: 0.33
AlogP: -0.98 Num_rotatable_bonds: 10
MolWt: 623.5 Num_heavy_atoms: 44
TPSA: 278.94 NumAromaticRings: 1

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD13454
Formula: C3H4O4

Smiles:
O=C(O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.33
AlogP: -0.45 Num_rotatable_bonds: 2
MolWt: 104.06 Num_heavy_atoms: 7
TPSA: 74.6 NumAromaticRings: 0
AD45113
Formula: C15H13O6

Smiles:
OC1=CC([OH2+])=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C12
HBA: 6 RingCount: 3
HBD: 6 FractionCSP3: 0.07
AlogP: 1.71 Num_rotatable_bonds: 1
MolWt: 289.26 Num_heavy_atoms: 21
TPSA: 113.05 NumAromaticRings: 1

Sugarmoiety
SD00017

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