Glycoside
GD143198
Name:
4-(7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)oxolan-2-oneFormula:
C41H66O14Smiles:
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7COC(=O)C7)CCC65O)C4)OC3C)OC2C)CC(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3COC(=O)C3)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 203.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD57600
Formula: C23H36O5
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3COC(=O)C3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 392.54 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
