Glycoside
...
GD008408

Name:
None

Formula:
C60H83O17N

Smiles:
C[C@@H]1CC[C@]2(OC1)O[C@@H]1CC3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CNC(=O)OCC7c8ccccc8-c8ccccc87)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.CNC(=O)OCC1c2ccccc2-c2ccccc21

Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 12
HBD: 8 FractionCSP3: 0.75
AlogP: 4.79 Num_rotatable_bonds: 10
MolWt: 1090.31 Num_heavy_atoms: 78
TPSA: 253.78 NumAromaticRings: 2

Unique Aglycone
AD00005
Formula: C27H42O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 0.93
AlogP: 5.71 Num_rotatable_bonds: 0
MolWt: 414.63 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0
AD06717
Formula: C16H15O2N

Smiles:
CNC(=O)OCC1c2ccccc2-c2ccccc21
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.19
AlogP: 3.15 Num_rotatable_bonds: 2
MolWt: 253.3 Num_heavy_atoms: 19
TPSA: 38.33 NumAromaticRings: 2

Sugarmoiety
SD00896

CC1OC(OC2C(O)OC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O