Glycoside
...
GD019800

Name:
None

Formula:
C29H33O9N3S

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(OCCSc4ncc[nH]4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(OCCSc3ncc[nH]3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 3 FractionCSP3: 0.41
AlogP: 3.75 Num_rotatable_bonds: 10
MolWt: 599.66 Num_heavy_atoms: 42
TPSA: 158.13 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
AD13775
Formula: C15H14O4N2S

Smiles:
Cc1c(O)ccc2c(OCCSc3ncc[nH]3)cc(=O)oc12
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 2.7 Num_rotatable_bonds: 5
MolWt: 318.35 Num_heavy_atoms: 22
TPSA: 88.35 NumAromaticRings: 3

Sugarmoiety
SD00066

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