Glycoside
GD010676
Name:
NoneFormula:
C50H69O13NSmiles:
CCC(C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](OC(=O)C(=NOC)c4ccccc4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CON=C(C(=O)O)c1ccccc1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.66 |
| AlogP: | 6.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 892.1 | Num_heavy_atoms: | 64 |
| TPSA: | 170.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD02409
Formula: C34H50O8
Smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.77 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
AD04812
Formula: C9H9O3N
Smiles:
CON=C(C(=O)O)c1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 58.89 | NumAromaticRings: | 1 |
