Glycoside
GD020412
Name:
NoneFormula:
C33H42O4N6Smiles:
COC[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CCNC4CCCCC4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(CCNC3CCCCC3)nc2NCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
COCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 586.74 | Num_heavy_atoms: | 43 |
| TPSA: | 126.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD14092
Formula: C27H31N6
Smiles:
C1=Nc2c(nc(CCNC3CCCCC3)nc2NCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 439.59 | Num_heavy_atoms: | 33 |
| TPSA: | 76.3 | NumAromaticRings: | 3 |
