Glycoside
...
GD016085

Name:
None

Formula:
C31H37O11NS

Smiles:
COC(=O)C1OC(SC2C=C[C@@H]3[C@@H]4Cc5ccc(OC)c6c5[C@@]3(CCN4C)[C@H]2O6)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341

Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 0 FractionCSP3: 0.61
AlogP: 1.94 Num_rotatable_bonds: 7
MolWt: 631.7 Num_heavy_atoms: 44
TPSA: 136.13 NumAromaticRings: 1

Unique Aglycone
AD10579
Formula: C18H21O2NS

Smiles:
COc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341
HBA: 3 RingCount: 5
HBD: 0 FractionCSP3: 0.56
AlogP: 2.44 Num_rotatable_bonds: 1
MolWt: 315.44 Num_heavy_atoms: 22
TPSA: 21.7 NumAromaticRings: 1

Sugarmoiety
SD00268

COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O