Glycoside
GD129433
Name:
prop-2-en-1-yl 6-{[2-({4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[(prop-2-en-1-yloxy)carbonyl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-4,5-dihydroxy-6-[(prop-2-en-1-yloxy)carbonyl]oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C51H74O16Smiles:
C=CCOC(=O)C1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C(=O)C=C4C6CC(C)(C(=O)OCC=C)CCC6(C)CCC45C)C3(C)C)OC(C(=O)OCC=C)C(O)C2O)C(O)C(O)C1OAglycone:
C=CCOC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.C=CCOC=O.C=CCOC=OSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 943.14 | Num_heavy_atoms: | 67 |
| TPSA: | 234.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD10499
Formula: C4H6O2
Smiles:
C=CCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD52433
Formula: C33H50O4
Smiles:
C=CCOC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 7.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.76 | Num_heavy_atoms: | 37 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
