Glycoside
GD151538
Name:
7-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²³.0¹â·,²²]tetracos-4-en-3-oneFormula:
C45H71O15NSmiles:
CC1CCC2C(C)C3C(CC4C5C(=O)C=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC43C)N2C1Aglycone:
CC1CCC2C(C)C3C(CC4C5C(=O)C=C6CC(O)CCC6(C)C5CCC43C)N2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 866.05 | Num_heavy_atoms: | 61 |
| TPSA: | 237.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD54330
Formula: C27H41O2N
Smiles:
CC1CCC2C(C)C3C(CC4C5C(=O)C=C6CC(O)CCC6(C)C5CCC43C)N2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 411.63 | Num_heavy_atoms: | 30 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
