Glycoside
GD148603
Name:
(6-{[1-(2,7-dihydroxy-6-methylhept-5-en-2-yl)-4-hydroxy-3b-(hydroxymethyl)-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)methyl acetateFormula:
C43H72O15Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(CC(O)C4(CO)C3CCC3C(C(C)(O)CCC=C(C)CO)CCC34C)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)CO.COC(C)=OSugarmoiety:
OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 829.03 | Num_heavy_atoms: | 58 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD19949
Formula: C30H52O5
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12CO)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
