Glycoside
...
GD028008

Name:
None

Formula:
C56H62O26

Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H]2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

Aglycone:
COC(=O)c1cc(OC)c(OC)c(OC)c1.COc1cc(C(=O)O)cc(OC)c1OC.COc1cc(C(=O)O)cc(OC)c1OC.COc1cc(C(=O)O)cc(OC)c1OC.COc1cc(C(=O)O)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 0 FractionCSP3: 0.38
AlogP: 6.23 Num_rotatable_bonds: 26
MolWt: 1151.09 Num_heavy_atoms: 82
TPSA: 279.18 NumAromaticRings: 5

Unique Aglycone
AD07161
Formula: C10H12O5

Smiles:
COc1cc(C(=O)O)cc(OC)c1OC
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.41 Num_rotatable_bonds: 4
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 64.99 NumAromaticRings: 1
AD09743
Formula: C11H14O5

Smiles:
COC(=O)c1cc(OC)c(OC)c(OC)c1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.36
AlogP: 1.5 Num_rotatable_bonds: 4
MolWt: 226.23 Num_heavy_atoms: 16
TPSA: 53.99 NumAromaticRings: 1

Sugarmoiety
SD00017

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