Glycoside
GD123386
Name:
Asteriacerebroside AFormula:
C43H81O9NSmiles:
CCCCCCCCC=CCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 8.14 | Num_rotatable_bonds: | 35 |
| MolWt: | 756.12 | Num_heavy_atoms: | 53 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD49786
Formula: C37H71O4N
Smiles:
CCCCCCCCC=CCCCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 10.32 | Num_rotatable_bonds: | 32 |
| MolWt: | 593.98 | Num_heavy_atoms: | 42 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
