Glycoside
...
GD026757

Name:
None

Formula:
C28H36O11

Smiles:
CC1=CC(=O)CC(C)(C)[C@@]1(O)C=C[C@H](C)O[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O.COC(=O)C=Cc1ccc(O)c(O)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.5
AlogP: 1.1 Num_rotatable_bonds: 8
MolWt: 548.59 Num_heavy_atoms: 39
TPSA: 183.21 NumAromaticRings: 1

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD07665
Formula: C13H20O3

Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.62
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 224.3 Num_heavy_atoms: 16
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O