Glycoside
...
GD014169

Name:
None

Formula:
C38H35O15N

Smiles:
O=C(OCCCO[N+](=O)[O-])[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(OCc5ccccc5)cc4)cc(=O)c3c(O)c2OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
O=COCCCO[N+](=O)[O-].O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 4 FractionCSP3: 0.26
AlogP: 3.65 Num_rotatable_bonds: 15
MolWt: 745.69 Num_heavy_atoms: 54
TPSA: 226.72 NumAromaticRings: 5

Unique Aglycone
AD00147
Formula: C4H7O5N

Smiles:
O=COCCCO[N+](=O)[O-]
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: -0.24 Num_rotatable_bonds: 6
MolWt: 149.1 Num_heavy_atoms: 10
TPSA: 78.67 NumAromaticRings: 0
AD04640
Formula: C29H22O6

Smiles:
O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.07
AlogP: 6.03 Num_rotatable_bonds: 7
MolWt: 466.49 Num_heavy_atoms: 35
TPSA: 89.13 NumAromaticRings: 5

Sugarmoiety
SD00017

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