Glycoside
GD116567
Name:
2-(2-hydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2,6,6-trimethyloxan-3-oneFormula:
C42H66O15Smiles:
CC1(C)CCC(=O)C(C)(C2C(O)CC3(C)C4CC=C5C(CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
CC1(C)CCC(=O)C(C)(C2C(O)CC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 810.98 | Num_heavy_atoms: | 57 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD46312
Formula: C30H46O5
Smiles:
CC1(C)CCC(=O)C(C)(C2C(O)CC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
