Glycoside
GD038080
Name:
(1r,4s,6r)-6-({[2-(acetylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoateFormula:
C67H129O15N2PSmiles:
CCCCCCCCCCCCCCCCCCCNC(=O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCNC(=O)C(CO)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)CSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 15.13 | Num_rotatable_bonds: | 60 |
| MolWt: | 1233.74 | Num_heavy_atoms: | 85 |
| TPSA: | 245.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD23849
Formula: C59H116O10NP
Smiles:
CCCCCCCCCCCCCCCCCCCNC(=O)C(CO)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C| HBA: | 11 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 17.16 | Num_rotatable_bonds: | 56 |
| MolWt: | 1030.55 | Num_heavy_atoms: | 71 |
| TPSA: | 157.69 | NumAromaticRings: | 0 |
