Glycoside
GD003789
Name:
NoneFormula:
C39H49O12NSmiles:
COc1cc2c(O[C@@H]3OC[C@H](OC)[C@H](OC)[C@H]3OCCCCCCN3CCC(O)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3.OCCCCCCN1CCC(O)CC1Sugarmoiety:
COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 15 |
| MolWt: | 723.82 | Num_heavy_atoms: | 52 |
| TPSA: | 132.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD00663
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
AD03394
Formula: C11H23O2N
Smiles:
OCCCCCCN1CCC(O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 201.31 | Num_heavy_atoms: | 14 |
| TPSA: | 43.7 | NumAromaticRings: | 0 |
