Glycoside
...
GD136399

Name:
None

Formula:
C54H62O13N3

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(CC=C3CCC4CCCCC45C(O)=NCC5C3C1)O2

Aglycone:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC=C3CCC4CCCCC45C(O)=NCC5C3C1)O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 11
HBD: 9 FractionCSP3: 0.5
AlogP: 4.13 Num_rotatable_bonds: 12
MolWt: 961.1 Num_heavy_atoms: 70
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
AD55135
Formula: C37H42O5N3

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC=C3CCC4CCCCC45C(O)=NCC5C3C1)O2
HBA: 8 RingCount: 9
HBD: 3 FractionCSP3: 0.54
AlogP: 4.56 Num_rotatable_bonds: 2
MolWt: 608.76 Num_heavy_atoms: 45
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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