Glycoside
...
GD131852

Name:
None

Formula:
C51H55O28

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2=CC(O)=CC3OC(c4cc(O)c(O)c(OC5OC(COC(=O)C=Cc6ccc(O)c(O)c6)C(O)C(O)C5O)c4)=C(OC4OC(C[OH2+])C(O)C(O)C4O)C=C23)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1

Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 8
HBD: 18 FractionCSP3: 0.37
AlogP: -2.67 Num_rotatable_bonds: 16
MolWt: 1115.97 Num_heavy_atoms: 79
TPSA: 463.79 NumAromaticRings: 3

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD45076
Formula: C15H12O7

Smiles:
OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1
HBA: 7 RingCount: 3
HBD: 6 FractionCSP3: 0.07
AlogP: 2.25 Num_rotatable_bonds: 1
MolWt: 304.25 Num_heavy_atoms: 22
TPSA: 130.61 NumAromaticRings: 1

Sugarmoiety
SD04586

OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O