Glycoside
GD129395
Name:
[2,3-bis(hexadecanoyloxy)propoxy][2-(2-{4-carbamoyl-4-[2-(2-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanamido}propanamido)ethoxy]phosphinic acidFormula:
C59H109O19N6PSmiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN=C(O)C(C)N=C(O)CCC(N=C(O)C(C)N=C(O)C(C)OC1C(O)C(CO)OC(O)C1N=C(C)O)C(=N)O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN=C(O)C(C)N=C(O)CCC(N=C(O)C(C)N=C(O)C(C)O)C(=N)O)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.86 |
| AlogP: | 11.01 | Num_rotatable_bonds: | 52 |
| MolWt: | 1237.52 | Num_heavy_atoms: | 85 |
| TPSA: | 394.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD52418
Formula: C51H96O14N5P
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN=C(O)C(C)N=C(O)CCC(N=C(O)C(C)N=C(O)C(C)O)C(=N)O)OC(=O)CCCCCCCCCCCCCCC| HBA: | 19 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 12.21 | Num_rotatable_bonds: | 48 |
| MolWt: | 1034.32 | Num_heavy_atoms: | 71 |
| TPSA: | 303.03 | NumAromaticRings: | 0 |
