Glycoside
GD142620
Name:
4-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1,3a,5a-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C35H54O16Smiles:
CC12CCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC1(O)CCC1C2CCC2(C)C(O)(C3=CC(=O)OC3)CCC12OAglycone:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(O)(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 730.8 | Num_heavy_atoms: | 51 |
| TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD56868
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(O)(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
