Glycoside
GD038983
Name:
[(2r,3s,4s,5r,6r)-6-[(10e,12e,14e)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoateFormula:
C58H86O7Smiles:
CCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc2c(C)ccc(C)c2C)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C.CCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 13.82 | Num_rotatable_bonds: | 28 |
| MolWt: | 895.32 | Num_heavy_atoms: | 65 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD11357
Formula: C13H26O2
Smiles:
CCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 214.35 | Num_heavy_atoms: | 15 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD24218
Formula: C40H54O
Smiles:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 11.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 550.87 | Num_heavy_atoms: | 41 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
