Glycoside

GD147294
Name:
NoneFormula:
C34H41O10N5Smiles:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C2O)cc(OC)cc1C3=OAglycone:
CCC1=CCNC(N)=C1.CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
HBA: | 15 | RingCount: | 6 |
HBD: | 11 | FractionCSP3: | 0.44 |
AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
MolWt: | 679.73 | Num_heavy_atoms: | 49 |
TPSA: | 248.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD44859
Formula: C7H12N2
Smiles:
CCC1=CCNC(N)=C1HBA: | 2 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.43 |
AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
MolWt: | 124.19 | Num_heavy_atoms: | 9 |
TPSA: | 38.05 | NumAromaticRings: | 0 |
AD52858
Formula: C21H21O5N3
Smiles:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=OHBA: | 8 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.29 |
AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
MolWt: | 395.42 | Num_heavy_atoms: | 29 |
TPSA: | 131.74 | NumAromaticRings: | 2 |