Glycoside
GD138987
Name:
N-[5-(19-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-10,12,14,16,18,22,26,30,34-nonahydroxy-3,5,21,33-tetramethyl-36-oxo-35-pentyl-1-oxacyclohexatriaconta-4,20-dien-2-yl)-4-hydroxyhexyl]guanidineFormula:
C56H105O17N3Smiles:
CCCCCC1C(=O)OC(C(C)C(O)CCCNC(=N)N)C(C)C=C(C)CCCCC(O)CC(O)CC(O)CC(O)CC(O)C(OC2OC(CO)C(O)C2O)C=C(C)C(O)CCCC(O)CCCC(O)CCC(C)C1OAglycone:
CCCCCC1C(=O)OC(C(C)C(O)CCCNC(=N)N)C(C)C=C(C)CCCCC(O)CC(O)CC(O)CC(O)CC(O)C(O)C=C(C)C(O)CCCC(O)CCCC(O)CCC(C)C1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 17 | FractionCSP3: | 0.89 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 13 |
| MolWt: | 1092.46 | Num_heavy_atoms: | 76 |
| TPSA: | 369.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD56064
Formula: C51H97O13N3
Smiles:
CCCCCC1C(=O)OC(C(C)C(O)CCCNC(=N)N)C(C)C=C(C)CCCCC(O)CC(O)CC(O)CC(O)CC(O)C(O)C=C(C)C(O)CCCC(O)CCCC(O)CCC(C)C1O| HBA: | 16 | RingCount: | 1 |
| HBD: | 15 | FractionCSP3: | 0.88 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 960.35 | Num_heavy_atoms: | 67 |
| TPSA: | 310.73 | NumAromaticRings: | 0 |
