Glycoside
GD116550
Name:
10-{[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-18-hydroxy-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]tetracosane-20-carboxylic acidFormula:
C41H64O15Smiles:
CC1(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C2O)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C(=O)OAglycone:
CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD46300
Formula: C30H46O6
Smiles:
CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C(=O)O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
