Glycoside
...
GD016333

Name:
None

Formula:
C41H32O26

Smiles:
O=C(Oc1c(O)cc(C(=O)O[C@@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@H](CO)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 15 FractionCSP3: 0.15
AlogP: 1.34 Num_rotatable_bonds: 11
MolWt: 940.68 Num_heavy_atoms: 67
TPSA: 444.18 NumAromaticRings: 5

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD11778
Formula: C14H10O9

Smiles:
O=C(O)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1
HBA: 9 RingCount: 2
HBD: 6 FractionCSP3: 0.0
AlogP: 1.13 Num_rotatable_bonds: 3
MolWt: 322.23 Num_heavy_atoms: 23
TPSA: 164.75 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O