Glycoside
GD136357
Name:
33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,5,9,11,17,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-6,19,21,25,27,29,31-heptaene-36-carboxylic acidFormula:
C47H73O16NSmiles:
CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C=CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OAglycone:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C=CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.66 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 908.09 | Num_heavy_atoms: | 64 |
| TPSA: | 299.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD55117
Formula: C41H62O13
Smiles:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C=CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 762.93 | Num_heavy_atoms: | 54 |
| TPSA: | 234.67 | NumAromaticRings: | 0 |
