Glycoside
...
GD018436

Name:
None

Formula:
C48H70O16

Smiles:
COC1=C2C[C@H](O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)[C@H](CC(=O)[C@@]3(O)[C@H](C)[C@H](CCC(C)C)O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4OC(=O)c4ccc(OC)cc4)[C@H]3OC(C)=O)[C@H]2C1

Aglycone:
COC1=C2CC(O)CCC2(C)C2CCC3(C)C(CC(=O)C3(O)C(C)C(O)CCC(C)C)C2C1.COc1ccc(C(=O)O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 5 FractionCSP3: 0.77
AlogP: 4.0 Num_rotatable_bonds: 14
MolWt: 903.07 Num_heavy_atoms: 64
TPSA: 226.2 NumAromaticRings: 1

Unique Aglycone
AD01329
Formula: C8H8O3

Smiles:
COc1ccc(C(=O)O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.39 Num_rotatable_bonds: 2
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 1
AD13006
Formula: C28H46O5

Smiles:
COC1=C2CC(O)CCC2(C)C2CCC3(C)C(CC(=O)C3(O)C(C)C(O)CCC(C)C)C2C1
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.63 Num_rotatable_bonds: 6
MolWt: 462.67 Num_heavy_atoms: 33
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00355

CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O