Glycoside
GD039088
Name:
(5ar,9ar)-2-chloro-11-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepineFormula:
C24H28O7N3ClSmiles:
O=C(O)[C@H]1O[C@H](N2CCN(C3=N[C@@H]4CC=CC[C@H]4Oc4ccc(Cl)cc43)CC2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Clc1ccc2c(c1)C(N1CCNCC1)=NC1CC=CCC1O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 493.94 | Num_heavy_atoms: | 34 |
| TPSA: | 135.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD24274
Formula: C18H20ON3Cl
Smiles:
Clc1ccc2c(c1)C(N1CCNCC1)=NC1CC=CCC1O2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 317.82 | Num_heavy_atoms: | 22 |
| TPSA: | 36.86 | NumAromaticRings: | 1 |
