Glycoside
GD019102
Name:
ISOELEUTHEROBIN AFormula:
C35H48O10N2Smiles:
CO[C@@]12C=C[C@](C)(O1)[C@H](OC(=O)C=Cc1cn(C)cn1)C[C@@H]1C(C)=CC[C@H](C(C)C)[C@H]1C=C2CO[C@@H]1OC[C@H](O)[C@H](OC(C)=O)[C@H]1OAglycone:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2COSugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 656.77 | Num_heavy_atoms: | 47 |
| TPSA: | 147.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD04712
Formula: C28H38O5N2
Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2CO| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.62 | Num_heavy_atoms: | 35 |
| TPSA: | 82.81 | NumAromaticRings: | 1 |
