Glycoside
...
GD148938

Name:
None

Formula:
C41H50O12N3

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C(C)(CCC1CN=C(O)C1)O2

Aglycone:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.49
AlogP: 1.15 Num_rotatable_bonds: 15
MolWt: 776.86 Num_heavy_atoms: 56
TPSA: 229.08 NumAromaticRings: 3

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD46521
Formula: C28H32O5N3

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.46
AlogP: 2.44 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