Glycoside
...
GD003440

Name:
VIARUMACIDS A

Formula:
C38H44O22

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)OC[C@H]2O[C@@H](Oc3ccc(C=CC(=O)O[C@@H]4C[C@](O)(C(=O)O)C[C@H](O)[C@H]4O)cc3O)[C@H](O)[C@@H](O)[C@H]2O)C[C@H](O)[C@@H]1O

Aglycone:
COC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1.O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 13 FractionCSP3: 0.47
AlogP: -3.34 Num_rotatable_bonds: 12
MolWt: 852.75 Num_heavy_atoms: 60
TPSA: 377.42 NumAromaticRings: 2

Unique Aglycone
AD03131
Formula: C17H20O9

Smiles:
COC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1
HBA: 9 RingCount: 2
HBD: 5 FractionCSP3: 0.41
AlogP: -0.56 Num_rotatable_bonds: 4
MolWt: 368.34 Num_heavy_atoms: 26
TPSA: 153.75 NumAromaticRings: 1
AD03132
Formula: C16H18O9

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O
HBA: 9 RingCount: 2
HBD: 6 FractionCSP3: 0.38
AlogP: -0.65 Num_rotatable_bonds: 4
MolWt: 354.31 Num_heavy_atoms: 25
TPSA: 164.75 NumAromaticRings: 1

Sugarmoiety
SD00017

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