Glycoside
...
GD034871

Name:
None

Formula:
C39H58O12

Smiles:
CC(=O)OC(C)(C)C=CC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](OC5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5C)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C

Aglycone:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:
CC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.79
AlogP: 2.6 Num_rotatable_bonds: 8
MolWt: 718.88 Num_heavy_atoms: 51
TPSA: 197.12 NumAromaticRings: 0

Unique Aglycone
AD05164
Formula: C32H46O8

Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.75
AlogP: 3.5 Num_rotatable_bonds: 5
MolWt: 558.71 Num_heavy_atoms: 40
TPSA: 138.2 NumAromaticRings: 0

Sugarmoiety
SD01438

CC1C(O)OC(CO)C(O)C1O