Glycoside
...
GD116405

Name:
Stansin 4

Formula:
C49H84O21

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(CC3OC(C)C(OC(=O)C(C)C)C(O)C3O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(O)C(O)C3O)C2OC(=O)C(C)CC

Aglycone:
CC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(C)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(O)C(O)C3O)C2OC(=O)C(C)CC

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 8 FractionCSP3: 0.94
AlogP: 1.78 Num_rotatable_bonds: 12
MolWt: 1009.19 Num_heavy_atoms: 70
TPSA: 305.35 NumAromaticRings: 0

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD46216
Formula: C39H68O16

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(C)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(O)C(O)C3O)C2OC(=O)C(C)CC
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.95
AlogP: 2.33 Num_rotatable_bonds: 8
MolWt: 792.96 Num_heavy_atoms: 55
TPSA: 229.36 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O