Glycoside
...
GD010274

Name:
BUNKANKASAPONIN C

Formula:
C57H88O24

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

Aglycone:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2O.CC=C(C)C(=O)O

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 11 FractionCSP3: 0.86
AlogP: 0.28 Num_rotatable_bonds: 14
MolWt: 1157.31 Num_heavy_atoms: 81
TPSA: 373.88 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
AD07962
Formula: C32H52O7

Smiles:
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2O
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.91
AlogP: 3.6 Num_rotatable_bonds: 3
MolWt: 548.76 Num_heavy_atoms: 39
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD01536

CC(=O)OC1C(C)OC(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O