Glycoside
...
GD140184

Name:
None

Formula:
C45H52O13N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C(C)(CCC1CN=C(O)C1)O2

Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 9 FractionCSP3: 0.44
AlogP: 2.01 Num_rotatable_bonds: 15
MolWt: 842.92 Num_heavy_atoms: 61
TPSA: 249.31 NumAromaticRings: 4

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD46820
Formula: C28H32O5N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.46
AlogP: 2.45 Num_rotatable_bonds: 5
MolWt: 490.58 Num_heavy_atoms: 36
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO