Glycoside
GD126322
Name:
Hibarimicin HFormula:
C75H98O33Smiles:
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(OC7CCC(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(OC7CCC(O)C(C)O7)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21OSugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 14 |
| HBD: | 15 | FractionCSP3: | 0.71 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 18 |
| MolWt: | 1527.58 | Num_heavy_atoms: | 108 |
| TPSA: | 500.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD51104
Formula: C63H78O27
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(OC7CCC(O)C(C)O7)C(C)O5)C(O)C6O)c(O)c4c(O)c3C(=O)C21O| HBA: | 27 | RingCount: | 12 |
| HBD: | 13 | FractionCSP3: | 0.65 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 14 |
| MolWt: | 1267.29 | Num_heavy_atoms: | 90 |
| TPSA: | 423.57 | NumAromaticRings: | 3 |
