Glycoside
GD120381
Name:
4-{3a,10-dihydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C36H56O13Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 696.83 | Num_heavy_atoms: | 49 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD12646
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
