Glycoside
GD144988
Name:
5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-[(3,4,5-trihydroxy-6-{[6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-1-(2,5,6-trihydroxy-6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl 6-hydroxy-2,6-dimethylocta-2,7-dienoateFormula:
C58H98O22Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1C(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C(C(C)(O)CCC(O)C(C)(C)O)CCC45C)C3(C)CO)C(O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)O.CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(CO)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.91 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 21 |
| MolWt: | 1147.4 | Num_heavy_atoms: | 80 |
| TPSA: | 364.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD01642
Formula: C10H16O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD58224
Formula: C30H54O5
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(CO)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.76 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
