Glycoside
...
GD136027

Name:
Stansin 5

Formula:
C50H86O21

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(CC3OC(C)C(OC(=O)C(C)CC)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:
CCC(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: 2.17 Num_rotatable_bonds: 13
MolWt: 1023.22 Num_heavy_atoms: 71
TPSA: 305.35 NumAromaticRings: 0

Unique Aglycone
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
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