Glycoside
...
GD022959

Name:
None

Formula:
C44H40O15N

Smiles:
COc1ccc2cc3[n+](cc2c1OCCCCOC(=O)[C@@H]1O[C@H](Oc2cc4oc(-c5ccccc5)cc(=O)c4c(O)c2O)[C@H](O)[C@H](O)[C@H]1O)CCc1cc2c(cc1-3)OCO2

Aglycone:
COc1ccc2cc3[n+](cc2c1OCCCCOC=O)CCc1cc2c(cc1-3)OCO2.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12

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

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 5 FractionCSP3: 0.3
AlogP: 3.86 Num_rotatable_bonds: 11
MolWt: 822.8 Num_heavy_atoms: 60
TPSA: 216.92 NumAromaticRings: 6

Unique Aglycone
AD02851
Formula: C15H10O5

Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 3
AD15495
Formula: C24H24O6N

Smiles:
COc1ccc2cc3[n+](cc2c1OCCCCOC=O)CCc1cc2c(cc1-3)OCO2
HBA: 7 RingCount: 5
HBD: 0 FractionCSP3: 0.33
AlogP: 3.42 Num_rotatable_bonds: 8
MolWt: 422.46 Num_heavy_atoms: 31
TPSA: 67.1 NumAromaticRings: 3

Sugarmoiety
SD00017

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