Glycoside
...
GD007883

Name:
None

Formula:
C84H82O17

Smiles:
COc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OC)cc4OCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(OCc2ccccc2)c1

Aglycone:
COC(=O)c1ccc(OC)cc1OCc1ccccc1.COC(=O)c1ccc(OC)cc1OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 12
HBD: 0 FractionCSP3: 0.26
AlogP: 14.85 Num_rotatable_bonds: 34
MolWt: 1363.56 Num_heavy_atoms: 101
TPSA: 172.59 NumAromaticRings: 10

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD06369
Formula: C16H16O4

Smiles:
COC(=O)c1ccc(OC)cc1OCc1ccccc1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.19
AlogP: 3.06 Num_rotatable_bonds: 5
MolWt: 272.3 Num_heavy_atoms: 20
TPSA: 44.76 NumAromaticRings: 2

Sugarmoiety
SD00200

OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O