Glycoside
GD002393
Name:
NoneFormula:
C51H80O16Smiles:
CC[C@H](C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](OCOCCO[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[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(OCOCCO)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 5.59 | Num_rotatable_bonds: | 13 |
| MolWt: | 949.19 | Num_heavy_atoms: | 67 |
| TPSA: | 188.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD02289
Formula: C37H56O10
Smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OCOCCO)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.85 | Num_heavy_atoms: | 47 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
