Glycoside
GD132951
Name:
2-{6,11-diazatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadeca-1(16),3,9,12,14-pentaen-4-yloxy}-2,5-bis(hydroxymethyl)oxolane-3,4-diolFormula:
C20H24O6N2Smiles:
OCC1OC(CO)(OC2=CC3c4cccc5[nH]cc(c45)CC3NC2)C(O)C1OAglycone:
OC1=CC2c3cccc4[nH]cc(c34)CC2NC1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 127.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD53823
Formula: C14H14ON2
Smiles:
OC1=CC2c3cccc4[nH]cc(c34)CC2NC1| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 226.28 | Num_heavy_atoms: | 17 |
| TPSA: | 48.05 | NumAromaticRings: | 2 |
