Glycoside
GD131717
Name:
20-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,11,12,16,18-hexahydroxy-36-[(5-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-35,37,38-trimethyl-2,8,14-trioxo-1-oxacyclooctatriaconta-21,23,25,27,29,31,33-heptaene-17-carboxylic acidFormula:
C53H79O20NSmiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OC1CC(=O)C(O)C(C)O1Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OC1CC(=O)C(O)C(C)O1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.64 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 1050.2 | Num_heavy_atoms: | 74 |
| TPSA: | 359.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD53347
Formula: C47H68O17
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OC1CC(=O)C(O)C(C)O1| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 905.04 | Num_heavy_atoms: | 64 |
| TPSA: | 295.11 | NumAromaticRings: | 0 |
