Glycoside
...
GD031954

Name:
None

Formula:
C53H72O16N2S2

Smiles:
C[C@H]1CC[C@@]2(OC1)OC1CC3C4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](COC(=O)NSc8ccccc8)[C@H](OC(=O)NSc8ccccc8)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)C4C(=O)C[C@@]3(C)C1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C.COC(=O)NSc1ccccc1.O=C(O)NSc1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 7 FractionCSP3: 0.72
AlogP: 5.5 Num_rotatable_bonds: 12
MolWt: 1057.29 Num_heavy_atoms: 73
TPSA: 250.26 NumAromaticRings: 2

Unique Aglycone
AD01997
Formula: C27H42O4

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C
HBA: 4 RingCount: 6
HBD: 1 FractionCSP3: 0.96
AlogP: 4.97 Num_rotatable_bonds: 0
MolWt: 430.63 Num_heavy_atoms: 31
TPSA: 55.76 NumAromaticRings: 0
AD20537
Formula: C8H9O2NS

Smiles:
COC(=O)NSc1ccccc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 2.05 Num_rotatable_bonds: 2
MolWt: 183.23 Num_heavy_atoms: 12
TPSA: 38.33 NumAromaticRings: 1
AD20538
Formula: C7H7O2NS

Smiles:
O=C(O)NSc1ccccc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.96 Num_rotatable_bonds: 2
MolWt: 169.21 Num_heavy_atoms: 11
TPSA: 49.33 NumAromaticRings: 1

Sugarmoiety
SD00326

OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O