Glycoside
GD029087
Name:
3,4,5-trihydroxy-6-{[(12-methyltetradecanoyl)oxy]methyl}oxan-2-yl 2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoateFormula:
C51H78O8Smiles:
CC[C@H](C)CCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O.CCC(C)CCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 11.53 | Num_rotatable_bonds: | 27 |
| MolWt: | 819.18 | Num_heavy_atoms: | 59 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD18960
Formula: C30H40O2
Smiles:
CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 8.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 432.65 | Num_heavy_atoms: | 32 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD18961
Formula: C16H32O2
Smiles:
CCC(C)CCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
