Glycoside
GD132010
Name:
37-(6-{6-[6-(1,2-dihydroxyhexadeca-3,15-dien-1-yl)-4,5-dihydroxyoxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl}-3,4,5-trihydroxyoxan-2-yl)-1,2,6,11,22,23,26,27,28,30,31,32,36,37-tetradecahydroxy-20,25,34-trimethylheptatriaconta-14,18,34-trien-13-oneFormula:
C73H130O27Smiles:
C=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2OC(C(O)C(O)C=C(C)CC(O)C(O)C(O)CC(O)C(O)C(O)C(C)CC(O)C(O)CC(C)C=CCCC=CC(=O)CC(O)CCCCC(O)CCCC(O)CO)C(O)C(O)C2O)CC(O)C1OAglycone:
C=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O.CC(=CC(O)CO)CC(O)C(O)C(O)CC(O)C(O)C(O)C(C)CC(O)C(O)CC(C)C=CCCC=CC(=O)CC(O)CCCCC(O)CCCC(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 2 |
| HBD: | 24 | FractionCSP3: | 0.82 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 55 |
| MolWt: | 1439.82 | Num_heavy_atoms: | 100 |
| TPSA: | 521.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD49072
Formula: C28H50O8
Smiles:
C=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 20 |
| MolWt: | 514.7 | Num_heavy_atoms: | 36 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
AD53453
Formula: C40H74O15
Smiles:
CC(=CC(O)CO)CC(O)C(O)C(O)CC(O)C(O)C(O)C(C)CC(O)C(O)CC(C)C=CCCC=CC(=O)CC(O)CCCCC(O)CCCC(O)CO| HBA: | 15 | RingCount: | 0 |
| HBD: | 14 | FractionCSP3: | 0.82 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 33 |
| MolWt: | 795.02 | Num_heavy_atoms: | 55 |
| TPSA: | 300.29 | NumAromaticRings: | 0 |
