Glycoside
...
GD001385

Name:
None

Formula:
C31H36O10N4S

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(C(C)=NOCCSc4ncc[nH]4)c(=O)oc3c2C)OC1(C)C

Aglycone:
CC(=NOCCSc1ncc[nH]1)c1c(O)c2ccc(O)c(C)c2oc1=O.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 4 FractionCSP3: 0.42
AlogP: 3.81 Num_rotatable_bonds: 11
MolWt: 656.71 Num_heavy_atoms: 46
TPSA: 190.72 NumAromaticRings: 4

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD01399
Formula: C17H17O5N3S

Smiles:
CC(=NOCCSc1ncc[nH]1)c1c(O)c2ccc(O)c(C)c2oc1=O
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.24
AlogP: 2.77 Num_rotatable_bonds: 6
MolWt: 375.41 Num_heavy_atoms: 26
TPSA: 120.94 NumAromaticRings: 3

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C