Glycoside
GD029926
Name:
4-{15-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9-hydroxy-5,18-dimethyl-3-oxapentacyclo[8.8.0.0²,â´.0âµ,â¹.0¹³,¹â¸]octadecan-6-yl}-2,5-dihydrofuran-2-oneFormula:
C30H44O9Smiles:
CO[C@H]1[C@H](O)[C@@H](OC2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3C3OC3[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@@H](C)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2C2OC2C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 127.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD19411
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1CCC1C2C2OC2C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
