Glycoside
GD120411
Name:
(6-{[2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl hexadecanoateFormula:
C62H96O8Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 15.0 | Num_rotatable_bonds: | 32 |
| MolWt: | 969.44 | Num_heavy_atoms: | 70 |
| TPSA: | 122.52 | 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 |
AD48371
Formula: C40H56O2
Smiles:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 11.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 568.89 | Num_heavy_atoms: | 42 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
