Glycoside
...
GD151864

Name:
Pensteminoside

Formula:
C33H34O13

Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2OC=CC3C(O)C4OC4(COC(=O)C=Cc4ccccc4)C23)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.39
AlogP: 0.64 Num_rotatable_bonds: 10
MolWt: 638.62 Num_heavy_atoms: 46
TPSA: 193.97 NumAromaticRings: 2

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD02680
Formula: C18H18O6

Smiles:
O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.39
AlogP: 0.85 Num_rotatable_bonds: 4
MolWt: 330.34 Num_heavy_atoms: 24
TPSA: 88.52 NumAromaticRings: 1

Sugarmoiety
SD00017

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