Glycoside
GD138112
Name:
methyl 15-ethylidene-13-{[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methyl}-3,17-diazapentacyclo[12.3.1.0²,¹â°.0â´,â¹.0¹²,¹â·]octadeca-2(10),4,6,8-tetraene-13-carboxylateFormula:
C27H34O8N2Smiles:
CC=C1CN2C3CC1C(COCC1OC(O)C(O)C(O)C1O)(C(=O)OC)C2Cc1c3[nH]c2ccccc12Aglycone:
CC=C1CN2C3CC1C(COC)(C(=O)OC)C2Cc1c3[nH]c2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.58 | Num_heavy_atoms: | 37 |
| TPSA: | 144.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD55768
Formula: C22H26O3N2
Smiles:
CC=C1CN2C3CC1C(COC)(C(=O)OC)C2Cc1c3[nH]c2ccccc12| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.46 | Num_heavy_atoms: | 27 |
| TPSA: | 54.56 | NumAromaticRings: | 2 |
