Glycoside
...
GD002636

Name:
None

Formula:
C46H66O15NF

Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](OC(=O)Nc8ccccc8F)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC(=O)[C@@]3(C)[C@@H]1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C.O=C(O)Nc1ccccc1F

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 7 FractionCSP3: 0.83
AlogP: 3.02 Num_rotatable_bonds: 8
MolWt: 892.02 Num_heavy_atoms: 63
TPSA: 232.16 NumAromaticRings: 1

Unique Aglycone
AD01186
Formula: C27H42O4

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(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
AD01188
Formula: C7H6O2NF

Smiles:
O=C(O)Nc1ccccc1F
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.92 Num_rotatable_bonds: 1
MolWt: 155.13 Num_heavy_atoms: 11
TPSA: 49.33 NumAromaticRings: 1

Sugarmoiety
SD00078

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O