Glycoside
...
GD021702

Name:
None

Formula:
C54H79O20NS

Smiles:
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](NCc3ccccc3S(=O)(=O)O)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O

Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O.NCc1ccccc1S(=O)(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 13 FractionCSP3: 0.59
AlogP: 1.79 Num_rotatable_bonds: 7
MolWt: 1094.28 Num_heavy_atoms: 76
TPSA: 359.99 NumAromaticRings: 1

Unique Aglycone
AD02755
Formula: C41H62O14

Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
HBA: 14 RingCount: 2
HBD: 10 FractionCSP3: 0.61
AlogP: 1.89 Num_rotatable_bonds: 1
MolWt: 778.93 Num_heavy_atoms: 55
TPSA: 254.9 NumAromaticRings: 0
AD14789
Formula: C7H9O3NS

Smiles:
NCc1ccccc1S(=O)(=O)O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.14
AlogP: 0.39 Num_rotatable_bonds: 2
MolWt: 187.22 Num_heavy_atoms: 12
TPSA: 80.39 NumAromaticRings: 1

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O