Glycoside
...
GD020651

Name:
None

Formula:
C27H37O11N2PS

Smiles:
COc1ccc(OP(=O)(N[C@H](CCSC)C(=O)OCc2ccccc2)OC[C@@H]2OC(O)[C@H](NC(C)=O)[C@H](O)[C@H]2O)cc1

Aglycone:
COc1ccc(OP(=O)(NC(CCSC)C(=O)OCc2ccccc2)OC)cc1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.48
AlogP: 1.6 Num_rotatable_bonds: 15
MolWt: 628.64 Num_heavy_atoms: 42
TPSA: 182.11 NumAromaticRings: 2

Unique Aglycone
AD14227
Formula: C20H26O6NPS

Smiles:
COc1ccc(OP(=O)(NC(CCSC)C(=O)OCc2ccccc2)OC)cc1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.35
AlogP: 4.28 Num_rotatable_bonds: 12
MolWt: 439.47 Num_heavy_atoms: 29
TPSA: 83.09 NumAromaticRings: 2

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O