Glycoside
...
GD125402

Name:
None

Formula:
C45H49O12N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C4(c5ccccc5)CCCCC4)C=CC32C(=O)O)ccc1O

Aglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCCC4)C=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.42
AlogP: 3.46 Num_rotatable_bonds: 11
MolWt: 823.9 Num_heavy_atoms: 60
TPSA: 242.4 NumAromaticRings: 3

Unique Aglycone
AD50715
Formula: C39H39O6N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCCC4)C=CC32C(=O)O)ccc1O
HBA: 9 RingCount: 7
HBD: 4 FractionCSP3: 0.33
AlogP: 6.66 Num_rotatable_bonds: 8
MolWt: 645.76 Num_heavy_atoms: 48
TPSA: 143.02 NumAromaticRings: 3

Sugarmoiety
SD00999

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