Glycoside
GD155481
Name:
CandicidinFormula:
C59H84O18N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.58 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 1109.32 | Num_heavy_atoms: | 79 |
| TPSA: | 356.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD61678
Formula: C53H73O15N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)O| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 964.16 | Num_heavy_atoms: | 69 |
| TPSA: | 291.67 | NumAromaticRings: | 1 |
