Glycoside
GD151353
Name:
VancoresmycinFormula:
C71H126O21N2Smiles:
CC(=CC(O)C(O)CC(O)CC(OC1OC(C)C(O)C(N)C1O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)C(=O)C(C)C=C(C)C(O)C(C)C(O)CCCC(O)C(C)C(O)C(C)CCC(O)CC(O)CC=C(C)C(O)=C1C(=O)C(=CC(C)C)N(C)C1=OAglycone:
CC(=CC(O)C(O)CC(O)CC(O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)C(=O)C(C)C=C(C)C(O)C(C)C(O)CCCC(O)C(C)C(O)C(C)CCC(O)CC(O)CC=C(C)C(O)=C1C(=O)C(=CC(C)C)N(C)C1=OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 18 | FractionCSP3: | 0.82 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 43 |
| MolWt: | 1343.78 | Num_heavy_atoms: | 94 |
| TPSA: | 422.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD60371
Formula: C65H115O18N
Smiles:
CC(=CC(O)C(O)CC(O)CC(O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)C(=O)C(C)C=C(C)C(O)C(C)C(O)CCCC(O)C(C)C(O)C(C)CCC(O)CC(O)CC=C(C)C(O)=C1C(=O)C(=CC(C)C)N(C)C1=O| HBA: | 19 | RingCount: | 1 |
| HBD: | 15 | FractionCSP3: | 0.8 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 41 |
| MolWt: | 1198.62 | Num_heavy_atoms: | 84 |
| TPSA: | 357.9 | NumAromaticRings: | 0 |
