Glycoside
...
GD155574

Name:
Pelargoniin D

Formula:
C27H24O19

Smiles:
O=Cc1oc(=O)c2cc(O)c(O)c(O)c2c1C(CC(=O)O)C(=O)OC1C(OC(=O)c2cc(O)c(O)c(O)c2)OC(CO)C(O)C1O

Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=Cc1oc(=O)c2cc(O)c(O)c(O)c2c1C(CC(=O)O)C(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 10 FractionCSP3: 0.3
AlogP: -1.39 Num_rotatable_bonds: 9
MolWt: 652.47 Num_heavy_atoms: 46
TPSA: 328.48 NumAromaticRings: 3

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD61701
Formula: C14H10O10

Smiles:
O=Cc1oc(=O)c2cc(O)c(O)c(O)c2c1C(CC(=O)O)C(=O)O
HBA: 10 RingCount: 2
HBD: 5 FractionCSP3: 0.14
AlogP: 0.37 Num_rotatable_bonds: 5
MolWt: 338.22 Num_heavy_atoms: 24
TPSA: 182.57 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O