Glycoside
GD129261
Name:
3-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-{[7,11-dimethyl-8-oxo-6-(5-oxooxolan-3-yl)-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-14-yl]oxy}-2-methyloxan-4-yl acetateFormula:
C42H62O17Smiles:
CC(=O)OC1CC(OC2CCC3(C)C(CCC45OC46CCC(C4COC(=O)C4)C6(C)C(=O)CC35)C2)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC13OC14CCC(C1COC(=O)C1)C4(C)C(=O)CC23Sugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 838.94 | Num_heavy_atoms: | 59 |
| TPSA: | 238.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD52367
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1CCC13OC14CCC(C1COC(=O)C1)C4(C)C(=O)CC23| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 76.13 | NumAromaticRings: | 0 |
