Glycoside
...
GD151792

Name:
None

Formula:
C45H49O13N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C=CC32C(=O)O)ccc1O

Aglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C=CC32C(=O)O)ccc1O

Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 9 FractionCSP3: 0.42
AlogP: 3.16 Num_rotatable_bonds: 11
MolWt: 839.89 Num_heavy_atoms: 61
TPSA: 262.63 NumAromaticRings: 3

Unique Aglycone
AD60500
Formula: C39H39O7N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C=CC32C(=O)O)ccc1O
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.33
AlogP: 6.37 Num_rotatable_bonds: 8
MolWt: 661.76 Num_heavy_atoms: 49
TPSA: 163.25 NumAromaticRings: 3

Sugarmoiety
SD00999

OCC1OC(O)(O)C(O)C(O)C1O