Glycoside
...
GD000692

Name:
None

Formula:
C96H90O17

Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)c3ccc(OCc4ccccc4)cc3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

Aglycone:
COC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1.COC(=O)c1ccc(OCc2ccccc2)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: 14
HBD: 0 FractionCSP3: 0.23
AlogP: 18.0 Num_rotatable_bonds: 38
MolWt: 1515.76 Num_heavy_atoms: 113
TPSA: 172.59 NumAromaticRings: 12

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
AD00745
Formula: C22H20O4

Smiles:
COC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.14
AlogP: 4.63 Num_rotatable_bonds: 7
MolWt: 348.4 Num_heavy_atoms: 26
TPSA: 44.76 NumAromaticRings: 3

Sugarmoiety
SD00200

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