Glycoside
...
GD145906

Name:
None

Formula:
C66H59O26

Smiles:
COc1cc(C2=C(OC3OC(COC(=O)C=Cc4ccc([OH2+])cc4)C(O)C(O)C3O)C3=C4C(=CC(O)=CC4OC(C=Cc4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)=C3)O2)cc(OC)c1O

Aglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4OC(C=Cc4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)=C3)O2)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 26 RingCount: 12
HBD: 17 FractionCSP3: 0.23
AlogP: 5.57 Num_rotatable_bonds: 14
MolWt: 1268.17 Num_heavy_atoms: 92
TPSA: 426.49 NumAromaticRings: 6

Unique Aglycone
AD45655
Formula: C10H11O3

Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 179.19 Num_heavy_atoms: 13
TPSA: 49.2 NumAromaticRings: 1
AD58540
Formula: C51H42O19

Smiles:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4OC(C=Cc4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)=C3)O2)cc(OC)c1O
HBA: 19 RingCount: 10
HBD: 13 FractionCSP3: 0.18
AlogP: 6.61 Num_rotatable_bonds: 8
MolWt: 958.88 Num_heavy_atoms: 70
TPSA: 318.37 NumAromaticRings: 5

Sugarmoiety
SD00017

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