Glycoside
GD144241
Name:
7-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3a,3b,6,6,9a-pentamethyl-1-(2,5,6-trihydroxy-6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-11-oneFormula:
C48H82O18Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(=O)C4C(C(C)(O)CCC(O)C(C)(C)O)CCC45C)C3(C)C)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 947.17 | Num_heavy_atoms: | 66 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57980
Formula: C30H52O5
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
