Glycoside
...
GD114616

Name:
None

Formula:
C55H51O24

Smiles:
COc1cc(-c2oc3cc(O)cc4oc(=C5C(O)=CC(O)=C6C5OC(c5ccc(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5ccc(O)c(O)c5)C(O)C6)cc(c2OC2OC(C[OH2+])C(O)C(O)C2O)-c34)cc(OC)c1O

Aglycone:
COc1cc(-c2oc3cc(O)cc4oc(=C5C(O)=CC(O)=C6C5OC(c5ccc(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5ccc(O)c(O)c5)C(O)C6)cc(c2O)-c34)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 24 RingCount: 11
HBD: 17 FractionCSP3: 0.27
AlogP: 3.39 Num_rotatable_bonds: 9
MolWt: 1095.99 Num_heavy_atoms: 79
TPSA: 408.01 NumAromaticRings: 5

Unique Aglycone
AD45167
Formula: C49H40O19

Smiles:
COc1cc(-c2oc3cc(O)cc4oc(=C5C(O)=CC(O)=C6C5OC(c5ccc(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5ccc(O)c(O)c5)C(O)C6)cc(c2O)-c34)cc(OC)c1O
HBA: 19 RingCount: 10
HBD: 13 FractionCSP3: 0.18
AlogP: 6.19 Num_rotatable_bonds: 6
MolWt: 932.84 Num_heavy_atoms: 68
TPSA: 326.19 NumAromaticRings: 5

Sugarmoiety
SD04392

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