Glycoside
...
GD123116

Name:
None

Formula:
C43H55O12N4

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2

Aglycone:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 9 FractionCSP3: 0.51
AlogP: 1.64 Num_rotatable_bonds: 18
MolWt: 819.93 Num_heavy_atoms: 59
TPSA: 244.08 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
AD49037
Formula: C30H37O5N4

Smiles:
CCC1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CC[NH2+]C)(CCC1CN=C(O)C1)O2
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.5
AlogP: 2.93 Num_rotatable_bonds: 8
MolWt: 533.65 Num_heavy_atoms: 39
TPSA: 124.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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