Glycoside
GD133837
Name:
25-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,4,9,29-pentahydroxy-7,11-dioxo-13-(propan-2-yl)-12,31-dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylic acidFormula:
C39H59O15NSmiles:
CC(C)C1CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(=O)CC(O)CC(=O)O1)CC(O)C2C(=O)OAglycone:
CC(C)C1CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(=O)CC(O)CC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 781.89 | Num_heavy_atoms: | 55 |
| TPSA: | 275.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD54154
Formula: C33H48O12
Smiles:
CC(C)C1CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(=O)CC(O)CC(=O)O1)CC(O)C2C(=O)O| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 636.74 | Num_heavy_atoms: | 45 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
