Glycoside
...
GD151093

Name:
delphinidin 3-glucoside-7,3'-di-(6-(e)-sinapoylglucoside)

Formula:
C55H63O30

Smiles:
COc1cc(C=CC(=O)OCC2OC(Oc3cc(O)c4c(c3)OC(c3cc(O)c(O)c(OC5OC(COC(=O)C=Cc6cc(OC)c(O)c(OC)c6)C(O)C(O)C5O)c3)C(OC3OC(C[OH2+])C(O)C(O)C3O)=C4)C(O)C(O)C2O)cc(OC)c1O

Aglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1

Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 8
HBD: 16 FractionCSP3: 0.42
AlogP: -1.84 Num_rotatable_bonds: 20
MolWt: 1204.08 Num_heavy_atoms: 85
TPSA: 460.25 NumAromaticRings: 4

Unique Aglycone
AD03982
Formula: C12H14O5

Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.25
AlogP: 1.6 Num_rotatable_bonds: 4
MolWt: 238.24 Num_heavy_atoms: 17
TPSA: 64.99 NumAromaticRings: 1
AD45104
Formula: C15H12O7

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1
HBA: 7 RingCount: 3
HBD: 6 FractionCSP3: 0.07
AlogP: 2.25 Num_rotatable_bonds: 1
MolWt: 304.25 Num_heavy_atoms: 22
TPSA: 130.61 NumAromaticRings: 2

Sugarmoiety
SD04586

OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O