Glycoside
GD139923
Name:
NoneFormula:
C33H38O10N5Smiles:
CNC(=N)NC1CCC(Cc2ccc([NH3+])nc2)c2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc(OC)cc1C3=[O+]Aglycone:
CNC(=N)NC1CCC(Cc2ccc([NH3+])nc2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=[OH+]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.39 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 664.69 | Num_heavy_atoms: | 48 |
| TPSA: | 254.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD56428
Formula: C27H29O5N5
Smiles:
CNC(=N)NC1CCC(Cc2ccc([NH3+])nc2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=[OH+]| HBA: | 10 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.26 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 503.56 | Num_heavy_atoms: | 37 |
| TPSA: | 176.6 | NumAromaticRings: | 3 |
