Glycoside
GD003437
Name:
CANDICIDINFormula:
C59H84O18N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2O[C@H](C)[C@H](O)[C@H](N)[C@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 1109.32 | Num_heavy_atoms: | 79 |
| TPSA: | 364.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD03128
Formula: C53H73O15N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.51 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 964.16 | Num_heavy_atoms: | 69 |
| TPSA: | 299.51 | NumAromaticRings: | 1 |
