Glycoside
...
GD147886

Name:
None

Formula:
C24H25O15

Smiles:
O=C(O)CC(=O)OCC1OC(OC2=C(c3cc(O)c(O)c(O)c3)OC3C=C([OH2+])C=C(O)C3=C2)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.OC1=CC([OH2+])=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 10 FractionCSP3: 0.33
AlogP: -1.3 Num_rotatable_bonds: 7
MolWt: 553.45 Num_heavy_atoms: 39
TPSA: 255.8 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
AD45114
Formula: C15H13O7

Smiles:
OC1=CC([OH2+])=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12
HBA: 7 RingCount: 3
HBD: 7 FractionCSP3: 0.07
AlogP: 1.42 Num_rotatable_bonds: 1
MolWt: 305.26 Num_heavy_atoms: 22
TPSA: 133.28 NumAromaticRings: 1

Sugarmoiety
SD00017

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