Glycoside
GD125566
Name:
Oceanalin AFormula:
C41H72O9N2Smiles:
COC(C=CCCCCCCCCCCCCC(OC1OC(CO)C(O)C(O)C1O)C(C)N)CCCCCCCC1NCCc2cc(O)c(O)cc21Aglycone:
COC(C=CCCCCCCCCCCCCC(O)C(C)N)CCCCCCCC1NCCc2cc(O)c(O)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.8 |
| AlogP: | 5.8 | Num_rotatable_bonds: | 27 |
| MolWt: | 737.03 | Num_heavy_atoms: | 52 |
| TPSA: | 187.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD50785
Formula: C35H62O4N2
Smiles:
COC(C=CCCCCCCCCCCCCC(O)C(C)N)CCCCCCCC1NCCc2cc(O)c(O)cc21| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 7.98 | Num_rotatable_bonds: | 24 |
| MolWt: | 574.89 | Num_heavy_atoms: | 41 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
