Glycoside
GD123206
Name:
2-[(10-hydroxy-3,7,7,8,10-pentamethyl-1,2,3,4,5,7,8,9,10,10a-decahydro-3-benzazocin-9-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H39O7NSmiles:
CC1C(OC2OC(CO)C(O)C(O)C2O)C(C)(O)C2CCN(C)CCC=C2C1(C)CAglycone:
CC1C(O)C(C)(O)C2CCN(C)CCC=C2C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 429.55 | Num_heavy_atoms: | 30 |
| TPSA: | 122.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD49704
Formula: C16H29O2N
Smiles:
CC1C(O)C(C)(O)C2CCN(C)CCC=C2C1(C)C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 267.41 | Num_heavy_atoms: | 19 |
| TPSA: | 43.7 | NumAromaticRings: | 0 |
