Glycoside
...
GD005675

Name:
None

Formula:
C24H36O17N2S3

Smiles:
CO[C@@H]1O[C@H](COCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:
COCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 4 FractionCSP3: 0.67
AlogP: -0.58 Num_rotatable_bonds: 16
MolWt: 720.75 Num_heavy_atoms: 46
TPSA: 267.9 NumAromaticRings: 1

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD04784
Formula: C18H26O3N2

Smiles:
COCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.56
AlogP: 2.11 Num_rotatable_bonds: 7
MolWt: 318.42 Num_heavy_atoms: 23
TPSA: 58.64 NumAromaticRings: 1

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O