Glycoside
GD114841
Name:
NoneFormula:
C44H50O12N4Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC34c5ccccc5CCC3CCC4N)C2C(=O)O)ccc1OAglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34c5ccccc5CCC3CCC4N)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 826.9 | Num_heavy_atoms: | 60 |
| TPSA: | 268.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD45319
Formula: C38H40O6N4
Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC34c5ccccc5CCC3CCC4N)C2C(=O)O)ccc1O| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.76 | Num_heavy_atoms: | 48 |
| TPSA: | 169.04 | NumAromaticRings: | 3 |
