Glycoside
...
GD155013

Name:
hirsutidin 3-o-(6-o-p-coumaroyl)glucoside

Formula:
C33H35O14

Smiles:
COc1cc(O)c2c(c1)OC(c1cc(OC)c(O)c(OC)c1)C(OC1OC(COC(=O)C=Cc3ccc([OH2+])cc3)C(O)C(O)C1O)=C2

Aglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(O)c2c(c1)OC(c1cc(OC)c(O)c(OC)c1)C(O)=C2

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.3
AlogP: 2.12 Num_rotatable_bonds: 10
MolWt: 655.63 Num_heavy_atoms: 47
TPSA: 205.73 NumAromaticRings: 3

Unique Aglycone
AD45655
Formula: C10H11O3

Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 179.19 Num_heavy_atoms: 13
TPSA: 49.2 NumAromaticRings: 1
AD59438
Formula: C18H18O7

Smiles:
COc1cc(O)c2c(c1)OC(c1cc(OC)c(O)c(OC)c1)C(O)=C2
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.22
AlogP: 3.16 Num_rotatable_bonds: 4
MolWt: 346.34 Num_heavy_atoms: 25
TPSA: 97.61 NumAromaticRings: 2

Sugarmoiety
SD00017

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