Glycoside
...
GD140939

Name:
None

Formula:
C44H48O12N4

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C4(c5ccccc5)CCCC4N)C=CC32C(=O)O)ccc1O

Aglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCC4N)C=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.41
AlogP: 2.0 Num_rotatable_bonds: 11
MolWt: 824.88 Num_heavy_atoms: 60
TPSA: 268.42 NumAromaticRings: 3

Unique Aglycone
AD56819
Formula: C38H38O6N4

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCC4N)C=CC32C(=O)O)ccc1O
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.32
AlogP: 5.21 Num_rotatable_bonds: 8
MolWt: 646.74 Num_heavy_atoms: 48
TPSA: 169.04 NumAromaticRings: 3

Sugarmoiety
SD00999

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