Glycoside
...
GD149406

Name:
None

Formula:
C51H59O13N4

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC1(CC(C2CN=C(O)C2)C=CC1CNC1CCCC1)C(OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC1(CC(C2CN=C(O)C2)C=CC1CNC1CCCC1)C(O)C3.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 10
HBD: 10 FractionCSP3: 0.47
AlogP: 2.16 Num_rotatable_bonds: 15
MolWt: 936.05 Num_heavy_atoms: 68
TPSA: 261.34 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
AD59754
Formula: C34H39O5N4

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC1(CC(C2CN=C(O)C2)C=CC1CNC1CCCC1)C(O)C3
HBA: 9 RingCount: 8
HBD: 4 FractionCSP3: 0.5
AlogP: 2.59 Num_rotatable_bonds: 5
MolWt: 583.71 Num_heavy_atoms: 43
TPSA: 121.5 NumAromaticRings: 2

Sugarmoiety
SD04426

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