Glycoside
...
GD026895

Name:
None

Formula:
C55H80O18

Smiles:
CC(C)=C[C@@H]1C[C@@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7OC(=O)C=Cc7ccccc7)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]34CO[C@@]2(C4)O1

Aglycone:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1.O=C(O)C=Cc1ccccc1

Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 8 FractionCSP3: 0.8
AlogP: 2.87 Num_rotatable_bonds: 12
MolWt: 1029.23 Num_heavy_atoms: 73
TPSA: 261.98 NumAromaticRings: 1

Unique Aglycone
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD04367
Formula: C30H48O4

Smiles:
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C34COC2(C4)O1
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.93
AlogP: 5.86 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD00956

OCC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O