Glycoside
...
GD144028

Name:
None

Formula:
C44H50O12N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)C2=NCN=C21

Aglycone:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)C2=NCN=C21

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.45
AlogP: 2.4 Num_rotatable_bonds: 10
MolWt: 826.9 Num_heavy_atoms: 60
TPSA: 268.42 NumAromaticRings: 3

Unique Aglycone
AD57901
Formula: C38H40O6N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)C2=NCN=C21
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.37
AlogP: 5.61 Num_rotatable_bonds: 7
MolWt: 648.76 Num_heavy_atoms: 48
TPSA: 169.04 NumAromaticRings: 3

Sugarmoiety
SD00999

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