Glycoside
GD134340
Name:
3a,6,6,9b,11a-pentamethyl-1-[2-methyl-5-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)oxolan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C42H68O14Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(C)(C2CCC3(C)C4CC=C5C(CCC(OC6OC(CO)C(O)C(O)C6O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD54354
Formula: C30H48O4
Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
