Glycoside
...
GD011236

Name:
None

Formula:
C40H65O11F

Smiles:
CC(=O)OCC1OC(O[C@@H]2C[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]3CC[C@@]45C[C@@]4(CC[C@H]5[C@H](C)C[C@H](O)[C@H](O)C(C)(C)F)[C@@]32C)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)F)C1(C)C.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.95
AlogP: 4.22 Num_rotatable_bonds: 10
MolWt: 740.95 Num_heavy_atoms: 52
TPSA: 172.21 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD08611
Formula: C32H53O5F

Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)F)C1(C)C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.97
AlogP: 5.82 Num_rotatable_bonds: 6
MolWt: 536.77 Num_heavy_atoms: 38
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O