Glycoside
GD149930
Name:
(6-{[3a,10-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C31H46O11Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 594.7 | Num_heavy_atoms: | 42 |
| TPSA: | 172.21 | 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 |
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 |
