Glycoside
...
GD146161

Name:
None

Formula:
C52H62O13N3

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C1(CCCC(C3CN=C(O)C34CCCCC4)C1)O2

Aglycone:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CCCC(C3CN=C(O)C34CCCCC4)C1)O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 10
HBD: 9 FractionCSP3: 0.52
AlogP: 3.96 Num_rotatable_bonds: 13
MolWt: 937.08 Num_heavy_atoms: 68
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
AD58625
Formula: C35H42O5N3

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CCCC(C3CN=C(O)C34CCCCC4)C1)O2
HBA: 8 RingCount: 8
HBD: 3 FractionCSP3: 0.57
AlogP: 4.39 Num_rotatable_bonds: 3
MolWt: 584.74 Num_heavy_atoms: 43
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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