Glycoside
...
GD153389

Name:
None

Formula:
C42H47O12N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCC3)C2C(=O)O)ccc1O

Aglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3)C2C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.43
AlogP: 2.9 Num_rotatable_bonds: 12
MolWt: 785.85 Num_heavy_atoms: 57
TPSA: 242.4 NumAromaticRings: 3

Unique Aglycone
AD61007
Formula: C36H37O6N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3)C2C(=O)O)ccc1O
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.33
AlogP: 6.11 Num_rotatable_bonds: 9
MolWt: 607.71 Num_heavy_atoms: 45
TPSA: 143.02 NumAromaticRings: 3

Sugarmoiety
SD00999

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