Glycoside
GD153483
Name:
27-[(4-carbamimidamidobutyl)carbamoyl]-6-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-15-oxoheptacosan-7-yl 3-methylbutanoateFormula:
C56H104O20N4Smiles:
CCCCCC(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCNC(=N)N)OC(=O)CC(C)CAglycone:
CCCCCC(O)C(CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCNC(=N)N)OC(=O)CC(C)CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.93 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 43 |
| MolWt: | 1153.46 | Num_heavy_atoms: | 80 |
| TPSA: | 395.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD61043
Formula: C38H74O5N4
Smiles:
CCCCCC(O)C(CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCNC(=N)N)OC(=O)CC(C)C| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 9.09 | Num_rotatable_bonds: | 34 |
| MolWt: | 667.03 | Num_heavy_atoms: | 47 |
| TPSA: | 158.09 | NumAromaticRings: | 0 |
