Glycoside
GD129180
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-hydroxy-3a,6,6,9b,11a-pentamethyl-1-(2,3,6-trihydroxy-6-methylhept-4-en-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C42H68O15Smiles:
CC1OC(OC2C(OC3CCC4C(=CCC5C4(C)C(=O)CC4(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC54C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD52328
Formula: C30H48O6
Smiles:
CC(C)(O)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
