Glycoside
GD153394
Name:
(3,4,5-trihydroxy-6-{[3-hydroxy-25-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}oxan-2-yl)methyl hexadecanoateFormula:
C62H96O9Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC(C)(C)C(O)C=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 13.54 | Num_rotatable_bonds: | 31 |
| MolWt: | 985.44 | Num_heavy_atoms: | 71 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD49976
Formula: C40H56O3
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 9.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 584.89 | Num_heavy_atoms: | 43 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
