Glycoside
GD000799
Name:
AVERMECTIN B2Formula:
C47H72O15Smiles:
COC1CC(OC2C(C)OC(O[C@@H]3C(C)=CC[C@@H]4C[C@H](C[C@]5(CC(O)[C@H](C)[C@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@H]3C)[C@@]54O)CC2OC)OC(C)C1OAglycone:
CC1=CCC2CC(CC3(CC(O)C(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23OSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 877.08 | Num_heavy_atoms: | 62 |
| TPSA: | 190.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00842
Formula: C33H48O9
Smiles:
CC1=CCC2CC(CC3(CC(O)C(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 588.74 | Num_heavy_atoms: | 42 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
