Glycoside
...
GD015741

Name:
VIARUMACIDS B

Formula:
C41H46O25

Smiles:
O=C(O)CC(=O)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](OC(=O)C=Cc2ccc(O[C@@H]3O[C@H](COC(=O)[C@]4(O)C[C@H](O)[C@H](O)[C@H](OC(=O)C=Cc5ccc(O)c(O)c5)C4)[C@H](O)[C@H](O)[C@H]3O)c(O)c2)[C@H]1O

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

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

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 13 FractionCSP3: 0.46
AlogP: -3.31 Num_rotatable_bonds: 15
MolWt: 938.79 Num_heavy_atoms: 66
TPSA: 420.79 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
AD11401
Formula: C19H20O12

Smiles:
O=C(O)CC(=O)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.37
AlogP: -0.62 Num_rotatable_bonds: 7
MolWt: 440.36 Num_heavy_atoms: 31
TPSA: 208.12 NumAromaticRings: 1

Sugarmoiety
SD00017

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