Glycoside
GD128111
Name:
4-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ylidene)oxolan-2-oneFormula:
C35H54O14Smiles:
CC12CCC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CC1CCC1C2CCC2(C)C(=C3COC(=O)C3)CCC12OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(=C3COC(=O)C3)CCC12OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 698.8 | Num_heavy_atoms: | 49 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD51894
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(=C3COC(=O)C3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
