Glycoside
...
GD114528

Name:
None

Formula:
C31H31O15

Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3=C(c4cc(O)c(O)c(O)c4)OC4C=C([OH2+])C=C(O)C4=C3)C(O)C(O)C2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.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: 5
HBD: 10 FractionCSP3: 0.26
AlogP: 0.66 Num_rotatable_bonds: 8
MolWt: 643.57 Num_heavy_atoms: 46
TPSA: 247.96 NumAromaticRings: 2

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
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