Glycoside
GD011522
Name:
L-Cinerulose-2-Deoxy-L-Fucose- L-Rhodinose-Î’-RhodomycinoneFormula:
C38H46O15Smiles:
CC[C@]1(O)C[C@H](O[C@@H]2CC[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1=O.CCC1(O)CC(OC2CCC(O)C(C)O2)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 742.77 | Num_heavy_atoms: | 53 |
| TPSA: | 227.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00014
Formula: C6H10O3
Smiles:
CC1OC(O)CCC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD08799
Formula: C26H28O10
Smiles:
CCC1(O)CC(OC2CCC(O)C(C)O2)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.5 | Num_heavy_atoms: | 36 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
