Glycoside
GD039202
Name:
2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-d-glucopyranosideFormula:
C29H39O6N3Smiles:
OC[C@H]1O[C@H](OCCN2CCN(CCCN3c4ccccc4C=Cc4ccccc43)CC2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.65 | Num_heavy_atoms: | 38 |
| TPSA: | 109.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD24307
Formula: C23H29ON3
Smiles:
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 363.51 | Num_heavy_atoms: | 27 |
| TPSA: | 29.95 | NumAromaticRings: | 2 |
