Glycoside
GD017608
Name:
NoneFormula:
C66H98O14Smiles:
CCCCCCCCCCCCOC(=O)[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](OCC=CCCCCCCCCOC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21CAglycone:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1ccc(C(=O)O)cc1.COc1ccc(C(=O)OCCCCCCCCC=CCO)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 12.63 | Num_rotatable_bonds: | 32 |
| MolWt: | 1115.5 | Num_heavy_atoms: | 80 |
| TPSA: | 185.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD01329
Formula: C8H8O3
Smiles:
COc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD03236
Formula: C34H58O5
Smiles:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 546.83 | Num_heavy_atoms: | 39 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD12550
Formula: C19H28O4
Smiles:
COc1ccc(C(=O)OCCCCCCCCC=CCO)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 320.43 | Num_heavy_atoms: | 23 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
