Glycoside
GD013468
Name:
[3,4,5-trihydroxy-6-({3,4,5-trihydroxy-6-[({2-[1-hydroxy-12-(2-octadecylcyclopropyl)dodecyl]hexacosanoyl}oxy)methyl]oxan-2-yl}oxy)oxan-2-yl]methyl 3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoateFormula:
C130H250O15Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OCSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 36.8 | Num_rotatable_bonds: | 114 |
| MolWt: | 2053.42 | Num_heavy_atoms: | 145 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD10043
Formula: C60H118O3
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.98 |
| AlogP: | 20.71 | Num_rotatable_bonds: | 54 |
| MolWt: | 887.6 | Num_heavy_atoms: | 63 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD10044
Formula: C60H118O3
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.98 |
| AlogP: | 20.71 | Num_rotatable_bonds: | 54 |
| MolWt: | 887.6 | Num_heavy_atoms: | 63 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
