Glycoside
...
GD030392

Name:
None

Formula:
C40H36O15

Smiles:
COC(=O)[C@@H]1[C@H](C(=O)OC[C@@H]2O[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@H](O)[C@H]2O)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1

Aglycone:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 7 FractionCSP3: 0.28
AlogP: 3.0 Num_rotatable_bonds: 9
MolWt: 756.71 Num_heavy_atoms: 55
TPSA: 242.88 NumAromaticRings: 5

Unique Aglycone
AD00529
Formula: C15H10O5

Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 3
AD05145
Formula: C20H20O6

Smiles:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.3
AlogP: 2.56 Num_rotatable_bonds: 4
MolWt: 356.37 Num_heavy_atoms: 26
TPSA: 93.06 NumAromaticRings: 2

Sugarmoiety
SD00017

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