Glycoside
GD039591
Name:
(2s)-1-({3-o-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-d-galactopyranosyl]-alpha-d-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7z)-pentadec-7-enoateFormula:
C39H70O13N2Smiles:
CCCCCCCC=CCCCCCC(=O)O[C@@H](COC(=O)CCCCCC)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](C)[C@H](N)[C@H](O)[C@@H]2NC(C)=O)[C@@H]1OAglycone:
CC(=O)NC1C(O)OC(C)C(N)C1O.CCCCCCCC=CCCCCCC(=O)OC(CO)COC(=O)CCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 27 |
| MolWt: | 774.99 | Num_heavy_atoms: | 54 |
| TPSA: | 225.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD19499
Formula: C8H16O4N2
Smiles:
CC(=O)NC1C(O)OC(C)C(N)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.23 | Num_heavy_atoms: | 14 |
| TPSA: | 104.81 | NumAromaticRings: | 0 |
AD24466
Formula: C25H46O5
Smiles:
CCCCCCCC=CCCCCCC(=O)OC(CO)COC(=O)CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 21 |
| MolWt: | 426.64 | Num_heavy_atoms: | 30 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
