Glycoside
GD128421
Name:
7-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formateFormula:
C37H56O15Smiles:
COC1C(O)C(CO)OC(OC2C(C)OC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(OC=O)CC54O)C3)C(O)C2O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12OSugarmoiety:
COC1C(O)C(CO)OC(OC2C(C)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.84 | Num_heavy_atoms: | 52 |
| TPSA: | 220.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD04703
Formula: C24H34O6
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.53 | Num_heavy_atoms: | 30 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
