Glycoside
GD154928
Name:
3a,5a-dihydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(3-oxocyclopent-1-en-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C37H56O14Smiles:
COC1C(O)C(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)CC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)CC1Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 724.84 | Num_heavy_atoms: | 51 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD56775
Formula: C24H34O5
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)CC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 402.53 | Num_heavy_atoms: | 29 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
