Glycoside
GD145966
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-(2,3-dihydroxy-6-methylheptan-2-yl)-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-oneFormula:
C39H66O15Smiles:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 774.94 | Num_heavy_atoms: | 54 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD50554
Formula: C27H46O5
Smiles:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
