Glycoside
GD149908
Name:
Hmp-P4Formula:
C68H84O29Smiles:
CCCC1C(OC2CCC(O)C(C)O2)C(O)C(OC2CC(O)C(O)C(C)O2)C2Cc3cc4c(OC)c(OC)c5c6c(oc5c4c(O)c3C(=O)C12O)C(=O)c1c(O)c2c(c(O)c1C6=O)C(=O)C1(O)C3C2OC1(CCC)C(OC1CCC(O)C(C)O1)C(O)C3OC1CC(O)C(O)C(C)O1Aglycone:
CCCC1C(OC2CCC(O)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c5c6c(oc5c4c(O)c3C(=O)C21O)C(=O)c1c(O)c2c(c(O)c1C6=O)C(=O)C1(O)C3C2OC1(CCC)C(OC1CCC(O)C(C)O1)C(O)C3OSugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 14 |
| HBD: | 13 | FractionCSP3: | 0.68 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 14 |
| MolWt: | 1365.39 | Num_heavy_atoms: | 97 |
| TPSA: | 445.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD59916
Formula: C56H64O23
Smiles:
CCCC1C(OC2CCC(O)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c5c6c(oc5c4c(O)c3C(=O)C21O)C(=O)c1c(O)c2c(c(O)c1C6=O)C(=O)C1(O)C3C2OC1(CCC)C(OC1CCC(O)C(C)O1)C(O)C3O| HBA: | 23 | RingCount: | 12 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 1105.11 | Num_heavy_atoms: | 79 |
| TPSA: | 368.56 | NumAromaticRings: | 4 |
