Glycoside
...
GD007215

Name:
BUNKANKASAPONIN F

Formula:
C60H92O23

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@]3(CO)[C@H](O)C[C@@]4(C)C(=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@]54C)[C@H]3CC2(C)C)[C@H](O)[C@H]1OC(=O)C(C)=CC

Aglycone:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO.CC=C(C)C(=O)O.CC=C(C)C(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 10 FractionCSP3: 0.83
AlogP: 2.25 Num_rotatable_bonds: 14
MolWt: 1181.37 Num_heavy_atoms: 83
TPSA: 353.65 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD05891
Formula: C32H52O6

Smiles:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.91
AlogP: 4.62 Num_rotatable_bonds: 2
MolWt: 532.76 Num_heavy_atoms: 38
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD01226

CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O