Glycoside
GD127966
Name:
6-[6-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-14,17-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl]-2-methylhept-2-enoic acidFormula:
C43H68O15Smiles:
CC(=O)OCC1OC(OC2CCC34CC35CC(O)C3(C)C(C(C)CCC=C(C)C(=O)O)C(O)CC3(C)C5CCC4C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)O.COC(C)=OSugarmoiety:
OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 825.0 | Num_heavy_atoms: | 58 |
| TPSA: | 242.13 | 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 |
AD51837
Formula: C30H48O5
Smiles:
CC(=CCCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
