Glycoside
GD121117
Name:
Hibarimicin IFormula:
C77H100O35Smiles:
CCCC1(O)C(OC2CCC(O)C(C)O2)C(O)C(OC2CC(O)C(O)C(C)O2)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(OC5CCC(OC7CC(O)C(O)(C(C)=O)C(C)O7)C(C)O5)C(O)C6OC5CC(O)C(O)C(C)O5)c(O)c4c(O)c3C(=O)C21OAglycone:
CCCC1(O)C(OC2CCC(O)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(OC5CCC(O)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21OSugarmoiety:
CC(=O)C1(O)C(O)CC(O)OC1C.CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 14 |
| HBD: | 16 | FractionCSP3: | 0.7 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 19 |
| MolWt: | 1585.61 | Num_heavy_atoms: | 112 |
| TPSA: | 538.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD48722
Formula: C57H68O25
Smiles:
CCCC1(O)C(OC2CCC(O)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(OC5CCC(O)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21O| HBA: | 25 | RingCount: | 11 |
| HBD: | 13 | FractionCSP3: | 0.61 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 1153.15 | Num_heavy_atoms: | 82 |
| TPSA: | 405.11 | NumAromaticRings: | 3 |
